REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3cb3_1_A DATA FIRST_RESID 10 DATA SEQUENCE SDRITWVRIS SCYLPLATPI SDAKVLTGRQ KPMTEIAILF AEIETAGGHQ DATA SEQUENCE GLGFSYSKRA GGPGQFAHAR EIAPALIGED PSDIAKLWDK LCWAGASAGR DATA SEQUENCE SGLSTQAIGA FDVALWDLKA KRAGLSLAKL LGSYRDSVRC YNTSGGFLHT DATA SEQUENCE PIDQLMVNAS ASIERGIGGI KLKVGQPDGA LDIARVTAVR KHLGDAVPLM DATA SEQUENCE VDANQQWDRP TAQRMCRIFE PFNLVWIEEP LDAYDHEGHA ALALQFDTPI DATA SEQUENCE ATGEMLTSAA EHGDLIRHRA ADYLMPDAPR VGGITPFLKI ASLAEHAGLM DATA SEQUENCE LAPHFAMELH VHLAAAYPRE PWVEHFEWLE PLFNERIEIR DGRMLVPTRP DATA SEQUENCE GLGLTLSGQV KAWTREEAQV GTR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.608 174.600 0.014 0.000 1.055 10 S CA 0.000 58.202 58.200 0.004 0.000 1.107 10 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 11 D N 2.019 122.431 120.400 0.020 0.000 2.368 11 D HA 0.377 5.018 4.640 0.000 0.000 0.240 11 D C 0.245 176.562 176.300 0.029 0.000 1.169 11 D CA 0.275 54.300 54.000 0.042 0.000 0.906 11 D CB 0.590 41.431 40.800 0.068 0.000 1.187 11 D HN 0.431 nan 8.370 nan 0.000 0.435 12 R N 1.783 122.307 120.500 0.041 0.000 2.651 12 R HA 0.438 4.779 4.340 0.000 0.000 0.278 12 R C -0.561 175.768 176.300 0.048 0.000 1.010 12 R CA -0.914 55.204 56.100 0.031 0.000 0.896 12 R CB 1.360 31.674 30.300 0.023 0.000 1.211 12 R HN 0.400 nan 8.270 nan 0.000 0.456 13 I N 1.885 122.478 120.570 0.038 0.000 2.556 13 I HA 0.007 4.177 4.170 0.000 0.000 0.284 13 I C 1.318 177.475 176.117 0.068 0.000 1.114 13 I CA 0.495 61.828 61.300 0.056 0.000 1.418 13 I CB 1.143 39.157 38.000 0.023 0.000 1.394 13 I HN 0.846 nan 8.210 nan 0.000 0.552 14 T N 0.734 115.359 114.554 0.118 0.000 2.975 14 T HA 0.111 4.461 4.350 0.000 0.000 0.261 14 T C -0.441 174.407 174.700 0.246 0.000 0.984 14 T CA -0.410 61.773 62.100 0.138 0.000 0.911 14 T CB 0.190 69.130 68.868 0.120 0.000 1.127 14 T HN 0.563 nan 8.240 nan 0.000 0.514 15 W N 0.948 122.263 121.300 0.024 0.000 3.274 15 W HA 0.638 5.298 4.660 0.000 0.000 0.327 15 W C -2.420 174.132 176.519 0.054 0.000 1.172 15 W CA -0.998 56.368 57.345 0.035 0.000 1.217 15 W CB 1.861 31.344 29.460 0.038 0.000 1.376 15 W HN -0.018 nan 8.180 nan 0.000 0.507 16 V N 5.857 125.391 119.914 -0.632 0.000 2.733 16 V HA 0.609 4.729 4.120 0.000 0.000 0.306 16 V C -0.844 174.723 176.094 -0.878 0.000 1.084 16 V CA -1.087 60.877 62.300 -0.560 0.000 0.905 16 V CB 1.915 33.599 31.823 -0.231 0.000 1.010 16 V HN 0.523 nan 8.190 nan 0.000 0.424 17 R N 4.584 124.651 120.500 -0.722 0.000 2.628 17 R HA 0.831 5.171 4.340 0.000 0.000 0.288 17 R C -1.448 174.797 176.300 -0.092 0.000 0.980 17 R CA -0.560 55.250 56.100 -0.483 0.000 0.891 17 R CB 1.959 31.899 30.300 -0.600 0.000 1.188 17 R HN 0.860 nan 8.270 nan 0.000 0.450 18 I N 0.258 120.849 120.570 0.035 0.000 2.785 18 I HA 0.719 4.889 4.170 0.000 0.000 0.302 18 I C -0.958 175.366 176.117 0.344 0.000 1.069 18 I CA -0.839 60.553 61.300 0.152 0.000 1.045 18 I CB 2.512 40.548 38.000 0.059 0.000 1.236 18 I HN 0.721 nan 8.210 nan 0.000 0.429 19 S N 2.282 118.227 115.700 0.410 0.000 2.537 19 S HA 0.522 4.992 4.470 0.000 0.000 0.270 19 S C -0.911 173.877 174.600 0.313 0.000 1.142 19 S CA -0.729 57.700 58.200 0.381 0.000 0.870 19 S CB 1.656 65.026 63.200 0.284 0.000 1.112 19 S HN 0.772 nan 8.310 nan 0.000 0.466 20 S N 1.102 116.839 115.700 0.061 0.000 2.448 20 S HA 0.538 5.008 4.470 0.000 0.000 0.320 20 S C -0.506 174.172 174.600 0.130 0.000 1.071 20 S CA -0.545 57.670 58.200 0.026 0.000 1.113 20 S CB -0.170 62.918 63.200 -0.186 0.000 0.972 20 S HN 0.976 nan 8.310 nan 0.000 0.465 21 C N 7.181 126.552 119.300 0.117 0.000 2.298 21 C HA 0.619 5.079 4.460 0.000 0.000 0.323 21 C C -1.172 173.838 174.990 0.032 0.000 1.284 21 C CA -0.707 58.435 59.018 0.207 0.000 1.577 21 C CB -0.891 27.047 27.740 0.331 0.000 2.249 21 C HN 0.873 nan 8.230 nan 0.000 0.497 22 Y N 5.890 126.199 120.300 0.016 0.000 2.518 22 Y HA 0.455 5.005 4.550 0.000 0.000 0.344 22 Y C 0.256 175.977 175.900 -0.299 0.000 0.982 22 Y CA -0.401 57.636 58.100 -0.104 0.000 1.234 22 Y CB 0.706 39.113 38.460 -0.089 0.000 1.114 22 Y HN 0.649 nan 8.280 nan 0.000 0.515 23 L N 8.186 129.215 121.223 -0.324 0.000 2.315 23 L HA 0.481 4.821 4.340 0.000 0.000 0.283 23 L C -2.443 174.069 176.870 -0.596 0.000 1.089 23 L CA -2.043 52.411 54.840 -0.643 0.000 0.833 23 L CB 0.417 42.220 42.059 -0.426 0.000 1.170 23 L HN 0.281 nan 8.230 nan 0.000 0.442 24 P HA 0.152 nan 4.420 nan 0.000 0.279 24 P C -1.050 176.021 177.300 -0.381 0.000 1.239 24 P CA -0.242 62.579 63.100 -0.465 0.000 0.789 24 P CB 0.974 32.432 31.700 -0.402 0.000 0.933 25 L N 2.407 123.442 121.223 -0.314 0.000 2.307 25 L HA 0.350 4.690 4.340 0.000 0.000 0.282 25 L C 1.854 178.597 176.870 -0.213 0.000 1.051 25 L CA -0.730 53.906 54.840 -0.340 0.000 0.804 25 L CB 1.278 43.049 42.059 -0.479 0.000 1.197 25 L HN 0.382 nan 8.230 nan 0.000 0.431 26 A N 2.218 124.949 122.820 -0.149 0.000 1.908 26 A HA -0.093 4.227 4.320 0.000 0.000 0.218 26 A C 1.045 178.607 177.584 -0.037 0.000 1.181 26 A CA 1.960 53.966 52.037 -0.051 0.000 0.627 26 A CB -0.448 18.561 19.000 0.015 0.000 0.818 26 A HN 0.750 nan 8.150 nan 0.000 0.445 27 T N -2.059 112.466 114.554 -0.048 0.000 2.881 27 T HA 0.585 4.935 4.350 0.000 0.000 0.290 27 T C -3.119 171.546 174.700 -0.059 0.000 1.000 27 T CA -2.039 60.063 62.100 0.003 0.000 0.978 27 T CB 2.273 71.215 68.868 0.124 0.000 0.997 27 T HN 0.110 nan 8.240 nan 0.000 0.443 28 P HA 0.322 nan 4.420 nan 0.000 0.268 28 P C -0.614 176.590 177.300 -0.160 0.000 1.205 28 P CA -0.419 62.606 63.100 -0.125 0.000 0.771 28 P CB 0.685 32.325 31.700 -0.101 0.000 0.858 29 I N 1.653 122.107 120.570 -0.194 0.000 2.304 29 I HA 0.179 4.349 4.170 0.000 0.000 0.291 29 I C 0.269 176.252 176.117 -0.223 0.000 1.018 29 I CA -0.059 61.096 61.300 -0.240 0.000 1.260 29 I CB 0.901 38.842 38.000 -0.098 0.000 1.390 29 I HN 0.180 nan 8.210 nan 0.000 0.475 30 S N 5.594 121.112 115.700 -0.303 0.000 2.733 30 S HA 0.236 4.706 4.470 0.000 0.000 0.307 30 S C -0.358 174.185 174.600 -0.096 0.000 1.127 30 S CA -0.987 57.113 58.200 -0.168 0.000 1.097 30 S CB 0.680 63.777 63.200 -0.170 0.000 1.003 30 S HN 0.705 nan 8.310 nan 0.000 0.477 31 D N 2.476 122.846 120.400 -0.050 0.000 2.469 31 D HA 0.365 5.005 4.640 0.000 0.000 0.278 31 D C 1.416 177.723 176.300 0.012 0.000 1.231 31 D CA -0.604 53.399 54.000 0.006 0.000 1.075 31 D CB 0.354 41.161 40.800 0.012 0.000 1.121 31 D HN 0.354 nan 8.370 nan 0.000 0.571 32 A N -0.141 122.693 122.820 0.023 0.000 1.933 32 A HA -0.195 4.125 4.320 0.000 0.000 0.218 32 A C 2.125 179.708 177.584 -0.002 0.000 1.175 32 A CA 1.523 53.570 52.037 0.018 0.000 0.628 32 A CB -0.665 18.347 19.000 0.020 0.000 0.814 32 A HN 0.588 nan 8.150 nan 0.000 0.444 33 K N -0.426 119.970 120.400 -0.007 0.000 2.147 33 K HA -0.075 4.245 4.320 0.000 0.000 0.205 33 K C 1.835 178.421 176.600 -0.024 0.000 1.049 33 K CA 1.399 57.678 56.287 -0.013 0.000 0.936 33 K CB -0.317 32.176 32.500 -0.012 0.000 0.722 33 K HN 0.350 nan 8.250 nan 0.000 0.446 34 V N 1.782 121.675 119.914 -0.035 0.000 2.323 34 V HA -0.186 3.935 4.120 0.000 0.000 0.244 34 V C 2.129 178.188 176.094 -0.059 0.000 1.041 34 V CA 1.421 63.690 62.300 -0.052 0.000 1.025 34 V CB -0.382 31.398 31.823 -0.072 0.000 0.656 34 V HN 0.265 nan 8.190 nan 0.000 0.451 35 L N 0.900 122.085 121.223 -0.063 0.000 2.353 35 L HA -0.115 4.225 4.340 0.000 0.000 0.220 35 L C 2.266 179.111 176.870 -0.043 0.000 1.133 35 L CA 1.781 56.579 54.840 -0.070 0.000 0.798 35 L CB -0.911 41.108 42.059 -0.068 0.000 0.922 35 L HN 0.585 nan 8.230 nan 0.000 0.445 36 T N -4.001 110.535 114.554 -0.029 0.000 3.122 36 T HA 0.274 4.624 4.350 0.000 0.000 0.250 36 T C 1.281 175.968 174.700 -0.022 0.000 1.067 36 T CA 0.267 62.355 62.100 -0.020 0.000 0.966 36 T CB 0.450 69.312 68.868 -0.010 0.000 1.002 36 T HN 0.394 nan 8.240 nan 0.000 0.542 37 G N 2.133 110.915 108.800 -0.030 0.000 2.272 37 G HA2 -0.282 3.678 3.960 0.000 0.000 0.280 37 G HA3 -0.282 3.678 3.960 0.000 0.000 0.280 37 G C 0.594 175.480 174.900 -0.023 0.000 1.067 37 G CA 0.232 45.315 45.100 -0.029 0.000 0.902 37 G HN 0.598 nan 8.290 nan 0.000 0.500 38 R N -0.952 119.535 120.500 -0.023 0.000 2.437 38 R HA 0.327 4.667 4.340 0.000 0.000 0.257 38 R C 0.744 177.032 176.300 -0.020 0.000 0.927 38 R CA 0.555 56.644 56.100 -0.018 0.000 1.078 38 R CB 0.829 31.120 30.300 -0.014 0.000 1.161 38 R HN 0.558 nan 8.270 nan 0.000 0.529 39 Q N 0.469 120.254 119.800 -0.026 0.000 2.594 39 Q HA 0.239 4.579 4.340 0.000 0.000 0.278 39 Q C -1.584 174.395 176.000 -0.036 0.000 0.961 39 Q CA -0.704 55.082 55.803 -0.028 0.000 0.844 39 Q CB 1.766 30.489 28.738 -0.025 0.000 1.475 39 Q HN -0.098 nan 8.270 nan 0.000 0.389 40 K N 2.201 122.579 120.400 -0.037 0.000 2.202 40 K HA 0.393 4.714 4.320 0.000 0.000 0.264 40 K C -2.373 174.194 176.600 -0.055 0.000 1.010 40 K CA -1.472 54.788 56.287 -0.045 0.000 0.940 40 K CB 0.464 32.940 32.500 -0.039 0.000 0.983 40 K HN 0.374 nan 8.250 nan 0.000 0.475 41 P HA -0.002 nan 4.420 nan 0.000 0.272 41 P C -0.728 176.521 177.300 -0.086 0.000 1.223 41 P CA -0.067 62.981 63.100 -0.086 0.000 0.784 41 P CB 0.505 32.147 31.700 -0.097 0.000 0.923 42 M N 2.556 122.095 119.600 -0.102 0.000 2.120 42 M HA 0.155 4.635 4.480 0.000 0.000 0.354 42 M C 0.392 176.601 176.300 -0.152 0.000 1.287 42 M CA 0.199 55.432 55.300 -0.112 0.000 1.103 42 M CB 0.530 33.062 32.600 -0.113 0.000 1.623 42 M HN 0.419 nan 8.290 nan 0.000 0.471 43 T N 0.518 114.990 114.554 -0.137 0.000 3.040 43 T HA 0.306 4.656 4.350 0.000 0.000 0.266 43 T C -0.110 174.480 174.700 -0.183 0.000 1.005 43 T CA -0.255 61.752 62.100 -0.156 0.000 0.906 43 T CB 0.034 68.836 68.868 -0.110 0.000 1.082 43 T HN 0.790 nan 8.240 nan 0.000 0.531 44 E N 0.429 120.528 120.200 -0.169 0.000 2.423 44 E HA 0.655 5.005 4.350 0.000 0.000 0.280 44 E C -1.772 174.731 176.600 -0.162 0.000 1.030 44 E CA -1.303 54.991 56.400 -0.176 0.000 0.812 44 E CB 1.298 30.947 29.700 -0.084 0.000 1.313 44 E HN 0.213 nan 8.360 nan 0.000 0.456 45 I N 0.850 121.306 120.570 -0.190 0.000 2.498 45 I HA 0.534 4.704 4.170 0.000 0.000 0.290 45 I C -0.655 175.301 176.117 -0.268 0.000 1.032 45 I CA -1.099 60.111 61.300 -0.150 0.000 1.073 45 I CB 2.054 40.007 38.000 -0.079 0.000 1.251 45 I HN 0.716 nan 8.210 nan 0.000 0.426 46 A N 7.283 129.899 122.820 -0.341 0.000 2.309 46 A HA 0.727 5.047 4.320 0.000 0.000 0.290 46 A C -0.621 176.785 177.584 -0.297 0.000 1.206 46 A CA -0.173 51.471 52.037 -0.654 0.000 0.850 46 A CB -0.075 18.468 19.000 -0.762 0.000 1.118 46 A HN 0.551 nan 8.150 nan 0.000 0.523 47 I N 2.516 122.903 120.570 -0.305 0.000 2.377 47 I HA 0.327 4.498 4.170 0.000 0.000 0.293 47 I C -0.332 175.647 176.117 -0.231 0.000 0.987 47 I CA -0.412 60.737 61.300 -0.253 0.000 1.185 47 I CB 1.787 39.496 38.000 -0.484 0.000 1.341 47 I HN 0.563 nan 8.210 nan 0.000 0.455 48 L N 7.323 128.463 121.223 -0.139 0.000 2.262 48 L HA 0.576 4.916 4.340 0.000 0.000 0.288 48 L C -1.362 175.483 176.870 -0.042 0.000 1.035 48 L CA 0.189 55.018 54.840 -0.019 0.000 0.820 48 L CB 0.035 42.109 42.059 0.026 0.000 1.204 48 L HN 0.234 nan 8.230 nan 0.000 0.424 49 F N 4.066 124.104 119.950 0.147 0.000 2.421 49 F HA 0.763 5.290 4.527 0.000 0.000 0.337 49 F C 0.512 176.352 175.800 0.066 0.000 1.105 49 F CA -0.352 57.739 58.000 0.152 0.000 1.049 49 F CB 1.841 40.932 39.000 0.152 0.000 1.139 49 F HN 0.624 nan 8.300 nan 0.000 0.479 50 A N 3.148 126.136 122.820 0.280 0.000 2.356 50 A HA 0.734 5.054 4.320 0.000 0.000 0.310 50 A C -0.994 176.697 177.584 0.178 0.000 1.075 50 A CA -0.619 51.477 52.037 0.098 0.000 0.746 50 A CB 0.843 19.753 19.000 -0.149 0.000 1.221 50 A HN 0.770 nan 8.150 nan 0.000 0.443 51 E N 1.725 122.000 120.200 0.125 0.000 2.199 51 E HA 0.575 4.925 4.350 0.000 0.000 0.265 51 E C -1.318 175.340 176.600 0.097 0.000 0.882 51 E CA -0.230 56.254 56.400 0.141 0.000 0.759 51 E CB 2.229 32.030 29.700 0.168 0.000 1.148 51 E HN 0.620 nan 8.360 nan 0.000 0.412 52 I N 2.245 122.926 120.570 0.185 0.000 2.509 52 I HA 0.346 4.516 4.170 0.000 0.000 0.293 52 I C -0.264 176.009 176.117 0.260 0.000 1.020 52 I CA -0.584 60.825 61.300 0.182 0.000 1.088 52 I CB 1.882 39.978 38.000 0.160 0.000 1.267 52 I HN 0.399 nan 8.210 nan 0.000 0.430 53 E N 3.336 123.727 120.200 0.319 0.000 2.266 53 E HA 0.491 4.841 4.350 0.000 0.000 0.268 53 E C -0.936 175.792 176.600 0.214 0.000 0.879 53 E CA -0.676 55.901 56.400 0.294 0.000 0.762 53 E CB 2.864 32.789 29.700 0.374 0.000 1.199 53 E HN 0.684 nan 8.360 nan 0.000 0.422 54 T N -1.855 112.796 114.554 0.162 0.000 2.949 54 T HA 0.564 4.914 4.350 0.000 0.000 0.287 54 T C 1.003 175.755 174.700 0.088 0.000 1.034 54 T CA -0.175 62.003 62.100 0.129 0.000 1.018 54 T CB 1.632 70.593 68.868 0.155 0.000 1.135 54 T HN 0.409 nan 8.240 nan 0.000 0.532 55 A N 0.681 123.544 122.820 0.072 0.000 1.933 55 A HA 0.191 4.511 4.320 0.000 0.000 0.218 55 A C 2.315 179.912 177.584 0.021 0.000 1.175 55 A CA 1.689 53.751 52.037 0.042 0.000 0.628 55 A CB -1.603 17.419 19.000 0.038 0.000 0.814 55 A HN 1.185 nan 8.150 nan 0.000 0.444 56 G N -1.833 106.998 108.800 0.051 0.000 2.708 56 G HA2 0.300 4.260 3.960 0.000 0.000 0.210 56 G HA3 0.300 4.260 3.960 0.000 0.000 0.210 56 G C 1.213 176.003 174.900 -0.183 0.000 1.141 56 G CA 0.675 45.778 45.100 0.005 0.000 0.788 56 G HN 1.710 nan 8.290 nan 0.000 0.531 57 G N -0.887 107.841 108.800 -0.120 0.000 2.157 57 G HA2 -0.249 3.711 3.960 0.000 0.000 0.248 57 G HA3 -0.249 3.711 3.960 0.000 0.000 0.248 57 G C 0.272 175.048 174.900 -0.207 0.000 0.979 57 G CA 0.135 45.136 45.100 -0.165 0.000 0.650 57 G HN 0.629 nan 8.290 nan 0.000 0.529 58 H N 0.566 119.657 119.070 0.035 0.000 2.551 58 H HA 0.521 5.077 4.556 0.000 0.000 0.358 58 H C 0.515 175.884 175.328 0.068 0.000 1.151 58 H CA 0.419 56.492 56.048 0.042 0.000 1.374 58 H CB 0.840 30.622 29.762 0.034 0.000 1.473 58 H HN 0.486 nan 8.280 nan 0.000 0.574 59 Q N 0.432 120.348 119.800 0.195 0.000 2.397 59 Q HA 0.584 4.924 4.340 0.000 0.000 0.275 59 Q C -0.438 175.656 176.000 0.156 0.000 1.090 59 Q CA -1.107 54.797 55.803 0.170 0.000 0.809 59 Q CB 3.187 32.009 28.738 0.139 0.000 1.362 59 Q HN 0.817 nan 8.270 nan 0.000 0.431 60 G N 0.939 109.838 108.800 0.165 0.000 2.682 60 G HA2 0.610 4.570 3.960 0.000 0.000 0.300 60 G HA3 0.610 4.570 3.960 0.000 0.000 0.300 60 G C -2.114 172.889 174.900 0.172 0.000 1.391 60 G CA -0.405 44.785 45.100 0.151 0.000 0.990 60 G HN 0.353 nan 8.290 nan 0.000 0.501 61 L N 1.740 123.064 121.223 0.169 0.000 2.362 61 L HA 0.938 5.278 4.340 0.000 0.000 0.275 61 L C 0.225 177.247 176.870 0.255 0.000 0.998 61 L CA -0.183 54.784 54.840 0.211 0.000 0.820 61 L CB 1.889 44.062 42.059 0.189 0.000 1.270 61 L HN 0.862 nan 8.230 nan 0.000 0.415 62 G N 3.083 112.072 108.800 0.315 0.000 2.725 62 G HA2 0.764 4.724 3.960 0.000 0.000 0.288 62 G HA3 0.764 4.724 3.960 0.000 0.000 0.288 62 G C -1.758 173.404 174.900 0.437 0.000 1.399 62 G CA -0.409 44.862 45.100 0.284 0.000 0.859 62 G HN 0.860 nan 8.290 nan 0.000 0.479 63 F N -1.510 118.518 119.950 0.131 0.000 2.719 63 F HA 0.856 5.383 4.527 0.000 0.000 0.309 63 F C -0.664 175.148 175.800 0.021 0.000 1.138 63 F CA -1.074 56.945 58.000 0.032 0.000 0.943 63 F CB 1.496 40.467 39.000 -0.048 0.000 1.304 63 F HN 0.743 nan 8.300 nan 0.000 0.445 64 S N 0.684 116.487 115.700 0.172 0.000 2.811 64 S HA 0.915 5.385 4.470 0.000 0.000 0.311 64 S C -1.785 173.017 174.600 0.337 0.000 1.152 64 S CA -0.311 57.986 58.200 0.161 0.000 0.864 64 S CB 1.712 64.927 63.200 0.024 0.000 1.226 64 S HN 1.452 nan 8.310 nan 0.000 0.541 65 Y N -1.395 118.961 120.300 0.093 0.000 2.677 65 Y HA 0.767 5.317 4.550 0.000 0.000 0.334 65 Y C -1.394 174.522 175.900 0.027 0.000 1.196 65 Y CA -0.870 57.259 58.100 0.050 0.000 1.059 65 Y CB 0.865 39.406 38.460 0.135 0.000 1.315 65 Y HN 0.422 nan 8.280 nan 0.000 0.455 66 S N 0.969 116.640 115.700 -0.048 0.000 2.614 66 S HA 0.283 4.754 4.470 0.000 0.000 0.288 66 S C -0.103 174.508 174.600 0.018 0.000 1.137 66 S CA -0.857 57.263 58.200 -0.134 0.000 0.992 66 S CB 1.802 64.946 63.200 -0.093 0.000 1.026 66 S HN 0.796 nan 8.310 nan 0.000 0.486 67 K N 2.628 123.042 120.400 0.024 0.000 2.021 67 K HA 0.211 4.531 4.320 0.000 0.000 0.205 67 K C 1.147 177.747 176.600 -0.000 0.000 1.047 67 K CA 0.693 57.017 56.287 0.061 0.000 0.943 67 K CB 0.011 32.557 32.500 0.077 0.000 0.725 67 K HN 0.213 nan 8.250 nan 0.000 0.439 68 R N 0.790 121.283 120.500 -0.012 0.000 2.641 68 R HA 0.488 4.828 4.340 0.000 0.000 0.197 68 R C 0.083 176.377 176.300 -0.009 0.000 1.408 68 R CA -0.186 55.907 56.100 -0.012 0.000 1.040 68 R CB -0.646 29.647 30.300 -0.012 0.000 2.279 68 R HN 0.286 nan 8.270 nan 0.000 0.520 69 A N -0.453 122.365 122.820 -0.003 0.000 2.483 69 A HA 0.419 4.739 4.320 0.000 0.000 0.238 69 A C 0.894 178.476 177.584 -0.004 0.000 1.070 69 A CA 1.025 53.066 52.037 0.007 0.000 0.770 69 A CB -0.174 18.830 19.000 0.007 0.000 1.008 69 A HN 0.763 nan 8.150 nan 0.000 0.497 70 G N 0.409 109.214 108.800 0.009 0.000 3.033 70 G HA2 0.013 3.973 3.960 0.000 0.000 0.208 70 G HA3 0.013 3.973 3.960 0.000 0.000 0.208 70 G C 1.192 176.100 174.900 0.013 0.000 1.006 70 G CA 0.613 45.712 45.100 -0.002 0.000 0.808 70 G HN 1.598 nan 8.290 nan 0.000 0.499 71 G N 1.808 110.615 108.800 0.011 0.000 2.459 71 G HA2 0.028 3.988 3.960 0.000 0.000 0.217 71 G HA3 0.028 3.988 3.960 0.000 0.000 0.217 71 G C 0.111 175.081 174.900 0.117 0.000 1.183 71 G CA 2.027 47.134 45.100 0.011 0.000 0.776 71 G HN 0.484 nan 8.290 nan 0.000 0.552 72 P HA -0.032 nan 4.420 nan 0.000 0.216 72 P C 2.131 179.542 177.300 0.186 0.000 1.150 72 P CA 1.721 64.933 63.100 0.187 0.000 0.837 72 P CB -0.383 31.402 31.700 0.141 0.000 0.786 73 G N -0.367 108.504 108.800 0.118 0.000 2.421 73 G HA2 -0.273 3.687 3.960 0.000 0.000 0.216 73 G HA3 -0.273 3.687 3.960 0.000 0.000 0.216 73 G C 1.579 176.545 174.900 0.109 0.000 1.171 73 G CA 0.595 45.749 45.100 0.091 0.000 0.775 73 G HN 0.275 nan 8.290 nan 0.000 0.543 74 Q N -0.861 118.997 119.800 0.097 0.000 2.030 74 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 74 Q C 2.252 178.331 176.000 0.133 0.000 0.986 74 Q CA 1.548 57.406 55.803 0.093 0.000 0.843 74 Q CB -0.307 28.463 28.738 0.054 0.000 0.904 74 Q HN 0.516 nan 8.270 nan 0.000 0.420 75 F N 0.826 120.803 119.950 0.045 0.000 2.102 75 F HA -0.205 4.322 4.527 0.000 0.000 0.298 75 F C 2.123 177.968 175.800 0.074 0.000 1.105 75 F CA 1.357 59.389 58.000 0.055 0.000 1.239 75 F CB -0.424 38.617 39.000 0.069 0.000 0.991 75 F HN 0.025 nan 8.300 nan 0.000 0.474 76 A N -0.614 122.303 122.820 0.161 0.000 1.883 76 A HA -0.313 4.007 4.320 0.000 0.000 0.217 76 A C 2.063 179.640 177.584 -0.012 0.000 1.186 76 A CA 2.221 54.298 52.037 0.067 0.000 0.624 76 A CB -1.438 17.648 19.000 0.143 0.000 0.822 76 A HN 0.650 nan 8.150 nan 0.000 0.444 77 H N -0.340 118.700 119.070 -0.051 0.000 2.357 77 H HA 0.120 4.676 4.556 0.000 0.000 0.301 77 H C 2.239 177.534 175.328 -0.054 0.000 1.082 77 H CA 1.718 57.736 56.048 -0.050 0.000 1.342 77 H CB -0.320 29.423 29.762 -0.031 0.000 1.389 77 H HN 0.392 nan 8.280 nan 0.000 0.511 78 A N 0.789 123.585 122.820 -0.040 0.000 1.908 78 A HA -0.236 4.084 4.320 0.000 0.000 0.218 78 A C 2.421 179.964 177.584 -0.070 0.000 1.181 78 A CA 1.888 53.934 52.037 0.015 0.000 0.627 78 A CB -0.714 18.238 19.000 -0.080 0.000 0.818 78 A HN 0.519 nan 8.150 nan 0.000 0.445 79 R N -0.266 120.054 120.500 -0.300 0.000 2.096 79 R HA -0.161 4.179 4.340 0.000 0.000 0.235 79 R C 2.137 178.319 176.300 -0.197 0.000 1.127 79 R CA 1.792 57.706 56.100 -0.310 0.000 0.968 79 R CB -0.263 29.752 30.300 -0.475 0.000 0.861 79 R HN 0.704 nan 8.270 nan 0.000 0.440 80 E N 0.545 120.621 120.200 -0.206 0.000 2.216 80 E HA -0.124 4.227 4.350 0.000 0.000 0.192 80 E C 1.802 178.267 176.600 -0.225 0.000 0.988 80 E CA 1.223 57.510 56.400 -0.189 0.000 0.834 80 E CB -0.003 29.592 29.700 -0.174 0.000 0.772 80 E HN 0.669 nan 8.360 nan 0.000 0.479 81 I N -3.312 117.081 120.570 -0.295 0.000 3.645 81 I HA 0.315 4.485 4.170 0.000 0.000 0.300 81 I C 2.265 178.204 176.117 -0.297 0.000 1.260 81 I CA 0.434 61.561 61.300 -0.288 0.000 1.365 81 I CB 0.046 37.837 38.000 -0.348 0.000 1.077 81 I HN -0.041 nan 8.210 nan 0.000 0.439 82 A N 3.387 126.034 122.820 -0.287 0.000 1.903 82 A HA -0.142 4.178 4.320 0.000 0.000 0.219 82 A C 0.456 177.852 177.584 -0.313 0.000 1.191 82 A CA 2.380 54.182 52.037 -0.392 0.000 0.638 82 A CB -2.296 16.606 19.000 -0.164 0.000 0.823 82 A HN 0.472 nan 8.150 nan 0.000 0.451 83 P HA -0.123 nan 4.420 nan 0.000 0.221 83 P C 1.205 178.424 177.300 -0.136 0.000 1.145 83 P CA 1.639 64.654 63.100 -0.141 0.000 0.795 83 P CB -0.231 31.413 31.700 -0.094 0.000 0.775 84 A N -0.691 122.032 122.820 -0.161 0.000 2.216 84 A HA -0.026 4.294 4.320 0.000 0.000 0.214 84 A C 2.174 179.673 177.584 -0.142 0.000 1.160 84 A CA 0.716 52.678 52.037 -0.124 0.000 0.725 84 A CB -1.278 17.657 19.000 -0.109 0.000 0.784 84 A HN 0.190 nan 8.150 nan 0.000 0.472 85 L N -0.179 120.925 121.223 -0.199 0.000 2.298 85 L HA 0.116 4.456 4.340 0.000 0.000 0.209 85 L C 0.221 177.028 176.870 -0.105 0.000 1.084 85 L CA -0.267 54.464 54.840 -0.182 0.000 0.816 85 L CB -0.171 41.716 42.059 -0.287 0.000 0.967 85 L HN 0.203 nan 8.230 nan 0.000 0.460 86 I N 1.462 121.978 120.570 -0.091 0.000 2.752 86 I HA -0.035 4.135 4.170 0.000 0.000 0.289 86 I C 1.509 177.610 176.117 -0.026 0.000 1.197 86 I CA 1.335 62.611 61.300 -0.041 0.000 1.432 86 I CB -0.431 37.552 38.000 -0.029 0.000 1.359 86 I HN 0.450 nan 8.210 nan 0.000 0.571 87 G N 4.982 113.778 108.800 -0.007 0.000 2.176 87 G HA2 -0.193 3.767 3.960 0.000 0.000 0.253 87 G HA3 -0.193 3.767 3.960 0.000 0.000 0.253 87 G C 0.280 175.172 174.900 -0.013 0.000 0.979 87 G CA -0.279 44.818 45.100 -0.006 0.000 0.641 87 G HN 0.576 nan 8.290 nan 0.000 0.530 88 E N 0.833 121.020 120.200 -0.021 0.000 2.283 88 E HA 0.362 4.712 4.350 0.000 0.000 0.271 88 E C -0.541 176.048 176.600 -0.019 0.000 1.031 88 E CA -0.682 55.703 56.400 -0.026 0.000 0.868 88 E CB 1.053 30.730 29.700 -0.039 0.000 1.094 88 E HN 0.220 nan 8.360 nan 0.000 0.401 89 D N 3.120 123.506 120.400 -0.023 0.000 2.338 89 D HA 0.038 4.678 4.640 0.000 0.000 0.255 89 D C -1.440 174.837 176.300 -0.038 0.000 1.237 89 D CA -1.858 52.127 54.000 -0.025 0.000 0.883 89 D CB 0.960 41.742 40.800 -0.030 0.000 1.087 89 D HN 0.044 nan 8.370 nan 0.000 0.485 90 P HA -0.125 nan 4.420 nan 0.000 0.219 90 P C 1.048 178.286 177.300 -0.104 0.000 1.146 90 P CA 0.639 63.709 63.100 -0.051 0.000 0.808 90 P CB 0.390 32.075 31.700 -0.025 0.000 0.779 91 S N -0.288 115.346 115.700 -0.111 0.000 2.453 91 S HA -0.043 4.427 4.470 0.000 0.000 0.231 91 S C 0.782 175.285 174.600 -0.162 0.000 1.005 91 S CA 0.757 58.864 58.200 -0.154 0.000 0.949 91 S CB -0.574 62.553 63.200 -0.123 0.000 0.774 91 S HN 0.232 nan 8.310 nan 0.000 0.510 92 D N 1.662 121.996 120.400 -0.110 0.000 2.741 92 D HA 0.264 4.904 4.640 0.000 0.000 0.233 92 D C 1.047 177.300 176.300 -0.079 0.000 1.160 92 D CA -0.051 53.898 54.000 -0.086 0.000 1.003 92 D CB -0.062 40.709 40.800 -0.048 0.000 1.064 92 D HN 0.314 nan 8.370 nan 0.000 0.503 93 I N 0.768 121.245 120.570 -0.156 0.000 2.127 93 I HA -0.307 3.863 4.170 0.000 0.000 0.241 93 I C 2.444 178.588 176.117 0.046 0.000 1.075 93 I CA 1.143 62.364 61.300 -0.132 0.000 1.334 93 I CB -0.191 37.550 38.000 -0.431 0.000 1.040 93 I HN 0.173 nan 8.210 nan 0.000 0.405 94 A N 0.571 123.418 122.820 0.046 0.000 1.972 94 A HA -0.240 4.080 4.320 0.000 0.000 0.219 94 A C 2.411 180.095 177.584 0.167 0.000 1.169 94 A CA 1.776 53.887 52.037 0.123 0.000 0.635 94 A CB -0.535 18.500 19.000 0.059 0.000 0.810 94 A HN 0.385 nan 8.150 nan 0.000 0.446 95 K N -0.184 120.271 120.400 0.091 0.000 2.026 95 K HA -0.070 4.250 4.320 0.000 0.000 0.208 95 K C 1.823 178.488 176.600 0.108 0.000 1.048 95 K CA 1.427 57.762 56.287 0.080 0.000 0.929 95 K CB -0.299 32.216 32.500 0.025 0.000 0.713 95 K HN 0.490 nan 8.250 nan 0.000 0.439 96 L N -0.633 120.647 121.223 0.096 0.000 2.141 96 L HA -0.162 4.178 4.340 0.000 0.000 0.209 96 L C 2.299 179.259 176.870 0.151 0.000 1.094 96 L CA 1.019 55.907 54.840 0.080 0.000 0.763 96 L CB -0.470 41.610 42.059 0.036 0.000 0.908 96 L HN 0.412 nan 8.230 nan 0.000 0.437 97 W N 1.674 123.006 121.300 0.054 0.000 2.335 97 W HA -0.233 4.427 4.660 0.000 0.000 0.311 97 W C 2.271 178.850 176.519 0.100 0.000 1.213 97 W CA 1.749 59.152 57.345 0.096 0.000 1.274 97 W CB 0.029 29.560 29.460 0.118 0.000 1.148 97 W HN 0.147 nan 8.180 nan 0.000 0.498 98 D N -0.092 120.600 120.400 0.487 0.000 2.117 98 D HA -0.229 4.412 4.640 0.000 0.000 0.197 98 D C 1.947 178.373 176.300 0.211 0.000 0.987 98 D CA 1.658 55.879 54.000 0.369 0.000 0.829 98 D CB -0.585 40.384 40.800 0.281 0.000 0.961 98 D HN 0.230 nan 8.370 nan 0.000 0.460 99 K N 0.630 121.116 120.400 0.142 0.000 2.026 99 K HA -0.098 4.222 4.320 0.000 0.000 0.208 99 K C 2.231 178.899 176.600 0.114 0.000 1.048 99 K CA 0.774 57.128 56.287 0.112 0.000 0.929 99 K CB -0.121 32.403 32.500 0.040 0.000 0.713 99 K HN 0.114 nan 8.250 nan 0.000 0.439 100 L N 0.458 121.683 121.223 0.004 0.000 2.141 100 L HA -0.199 4.141 4.340 0.000 0.000 0.209 100 L C 2.816 179.647 176.870 -0.066 0.000 1.094 100 L CA 0.714 55.512 54.840 -0.071 0.000 0.763 100 L CB -0.512 41.452 42.059 -0.159 0.000 0.908 100 L HN 0.458 nan 8.230 nan 0.000 0.437 101 C N -0.370 118.868 119.300 -0.103 0.000 2.453 101 C HA -0.221 4.239 4.460 0.000 0.000 0.277 101 C C 2.687 177.699 174.990 0.036 0.000 1.262 101 C CA 0.353 59.306 59.018 -0.108 0.000 1.718 101 C CB -0.897 26.762 27.740 -0.135 0.000 2.031 101 C HN 0.771 nan 8.230 nan 0.000 0.480 102 W N 1.436 122.722 121.300 -0.023 0.000 2.374 102 W HA -0.057 4.603 4.660 0.000 0.000 0.288 102 W C 2.240 178.753 176.519 -0.011 0.000 1.218 102 W CA 1.908 59.253 57.345 -0.001 0.000 1.245 102 W CB -0.324 29.141 29.460 0.008 0.000 1.126 102 W HN 0.381 nan 8.180 nan 0.000 0.545 103 A N -0.158 122.719 122.820 0.095 0.000 2.125 103 A HA 0.086 4.407 4.320 0.000 0.000 0.219 103 A C 1.743 179.222 177.584 -0.176 0.000 1.156 103 A CA 1.484 53.493 52.037 -0.046 0.000 0.671 103 A CB -0.988 18.014 19.000 0.003 0.000 0.794 103 A HN 0.398 nan 8.150 nan 0.000 0.459 104 G N -2.096 106.626 108.800 -0.129 0.000 4.803 104 G HA2 0.443 4.403 3.960 0.000 0.000 0.266 104 G HA3 0.443 4.403 3.960 0.000 0.000 0.266 104 G C 0.811 175.634 174.900 -0.129 0.000 1.111 104 G CA 0.705 45.772 45.100 -0.054 0.000 0.874 104 G HN 0.517 nan 8.290 nan 0.000 0.555 105 A N 0.905 123.559 122.820 -0.276 0.000 1.986 105 A HA -0.103 4.217 4.320 0.000 0.000 0.220 105 A C 2.595 180.091 177.584 -0.147 0.000 1.171 105 A CA 2.507 54.402 52.037 -0.237 0.000 0.640 105 A CB -0.334 18.408 19.000 -0.430 0.000 0.811 105 A HN 1.113 nan 8.150 nan 0.000 0.451 106 S N -0.844 114.764 115.700 -0.152 0.000 2.561 106 S HA 0.341 4.811 4.470 0.000 0.000 0.225 106 S C 1.609 176.159 174.600 -0.084 0.000 0.977 106 S CA 0.798 58.937 58.200 -0.102 0.000 0.926 106 S CB -0.219 62.923 63.200 -0.098 0.000 0.769 106 S HN 0.844 nan 8.310 nan 0.000 0.533 107 A N 1.042 123.804 122.820 -0.097 0.000 2.218 107 A HA 0.591 4.911 4.320 0.000 0.000 0.209 107 A C 1.378 178.907 177.584 -0.092 0.000 1.168 107 A CA 0.394 52.360 52.037 -0.118 0.000 0.804 107 A CB -1.000 17.881 19.000 -0.200 0.000 0.834 107 A HN 1.528 nan 8.150 nan 0.000 0.482 108 G N -0.889 107.877 108.800 -0.057 0.000 2.757 108 G HA2 -0.151 3.809 3.960 0.000 0.000 0.638 108 G HA3 -0.151 3.809 3.960 0.000 0.000 0.638 108 G C -0.171 174.736 174.900 0.012 0.000 1.344 108 G CA -0.310 44.781 45.100 -0.016 0.000 0.855 108 G HN 0.436 nan 8.290 nan 0.000 0.537 109 R N 0.512 121.054 120.500 0.071 0.000 2.791 109 R HA 0.524 4.864 4.340 0.000 0.000 0.357 109 R C 0.393 176.802 176.300 0.181 0.000 1.173 109 R CA 0.466 56.658 56.100 0.155 0.000 1.060 109 R CB 0.283 30.716 30.300 0.222 0.000 1.406 109 R HN 1.142 nan 8.270 nan 0.000 0.580 110 S N -2.222 113.540 115.700 0.104 0.000 2.595 110 S HA 0.731 5.201 4.470 0.000 0.000 0.270 110 S C 0.073 174.700 174.600 0.045 0.000 1.145 110 S CA -0.356 57.909 58.200 0.108 0.000 0.825 110 S CB 1.734 65.000 63.200 0.110 0.000 1.107 110 S HN 0.398 nan 8.310 nan 0.000 0.461 111 G N 0.835 109.664 108.800 0.049 0.000 2.527 111 G HA2 -0.172 3.788 3.960 0.000 0.000 0.227 111 G HA3 -0.172 3.788 3.960 0.000 0.000 0.227 111 G C 0.476 175.364 174.900 -0.021 0.000 1.291 111 G CA -0.105 44.999 45.100 0.007 0.000 0.904 111 G HN 1.407 nan 8.290 nan 0.000 0.577 112 L N 1.254 122.445 121.223 -0.053 0.000 2.043 112 L HA -0.169 4.171 4.340 0.000 0.000 0.212 112 L C 3.418 180.228 176.870 -0.099 0.000 1.075 112 L CA 2.977 57.776 54.840 -0.069 0.000 0.752 112 L CB -0.855 41.158 42.059 -0.077 0.000 0.891 112 L HN 0.870 nan 8.230 nan 0.000 0.432 113 S N -0.781 114.797 115.700 -0.202 0.000 2.348 113 S HA -0.200 4.270 4.470 0.000 0.000 0.221 113 S C 2.004 176.568 174.600 -0.061 0.000 1.033 113 S CA 1.629 59.654 58.200 -0.291 0.000 1.010 113 S CB -1.179 61.741 63.200 -0.467 0.000 0.891 113 S HN 0.572 nan 8.310 nan 0.000 0.442 114 T N -0.057 114.461 114.554 -0.059 0.000 2.995 114 T HA 0.008 4.358 4.350 0.000 0.000 0.269 114 T C 1.860 176.595 174.700 0.058 0.000 1.091 114 T CA 1.031 63.110 62.100 -0.034 0.000 1.128 114 T CB -0.523 68.409 68.868 0.106 0.000 0.891 114 T HN 0.522 nan 8.240 nan 0.000 0.492 115 Q N 0.759 120.585 119.800 0.044 0.000 2.172 115 Q HA 0.190 4.530 4.340 0.000 0.000 0.200 115 Q C 2.736 178.747 176.000 0.020 0.000 0.964 115 Q CA 1.154 56.981 55.803 0.040 0.000 0.855 115 Q CB -0.328 28.406 28.738 -0.006 0.000 0.918 115 Q HN 0.720 nan 8.270 nan 0.000 0.444 116 A N 0.855 123.691 122.820 0.027 0.000 1.898 116 A HA -0.133 4.188 4.320 0.000 0.000 0.216 116 A C 1.997 179.588 177.584 0.012 0.000 1.181 116 A CA 0.902 52.949 52.037 0.017 0.000 0.620 116 A CB -0.493 18.586 19.000 0.131 0.000 0.819 116 A HN 0.279 nan 8.150 nan 0.000 0.442 117 I N -0.127 120.489 120.570 0.077 0.000 2.286 117 I HA -0.211 3.959 4.170 0.000 0.000 0.248 117 I C 2.662 178.865 176.117 0.144 0.000 1.115 117 I CA 1.070 62.433 61.300 0.104 0.000 1.392 117 I CB -0.601 37.226 38.000 -0.289 0.000 1.065 117 I HN 0.405 nan 8.210 nan 0.000 0.418 118 G N 0.594 109.474 108.800 0.135 0.000 2.475 118 G HA2 -0.276 3.685 3.960 0.000 0.000 0.220 118 G HA3 -0.276 3.685 3.960 0.000 0.000 0.220 118 G C 1.828 176.778 174.900 0.083 0.000 1.125 118 G CA 0.894 46.111 45.100 0.194 0.000 0.755 118 G HN 0.511 nan 8.290 nan 0.000 0.565 119 A N 0.320 123.106 122.820 -0.056 0.000 1.930 119 A HA 0.188 4.508 4.320 0.000 0.000 0.217 119 A C 2.108 179.634 177.584 -0.096 0.000 1.175 119 A CA 1.285 53.238 52.037 -0.140 0.000 0.627 119 A CB -0.424 18.405 19.000 -0.283 0.000 0.815 119 A HN 0.276 nan 8.150 nan 0.000 0.443 120 F N 0.077 120.081 119.950 0.090 0.000 2.163 120 F HA -0.064 4.463 4.527 0.000 0.000 0.297 120 F C 2.032 177.908 175.800 0.127 0.000 1.094 120 F CA 1.247 59.296 58.000 0.081 0.000 1.290 120 F CB -0.863 38.155 39.000 0.031 0.000 1.017 120 F HN 0.334 nan 8.300 nan 0.000 0.483 121 D N 0.352 120.972 120.400 0.368 0.000 2.116 121 D HA -0.170 4.470 4.640 0.000 0.000 0.193 121 D C 2.172 178.709 176.300 0.395 0.000 0.998 121 D CA 1.427 55.669 54.000 0.404 0.000 0.836 121 D CB -0.105 41.012 40.800 0.529 0.000 0.951 121 D HN 0.034 nan 8.370 nan 0.000 0.449 122 V N 0.522 120.596 119.914 0.268 0.000 2.407 122 V HA -0.196 3.924 4.120 0.000 0.000 0.248 122 V C 2.488 178.707 176.094 0.208 0.000 1.055 122 V CA 1.695 64.109 62.300 0.190 0.000 1.049 122 V CB -0.845 30.969 31.823 -0.015 0.000 0.662 122 V HN 0.362 nan 8.190 nan 0.000 0.455 123 A N -0.328 122.612 122.820 0.200 0.000 1.930 123 A HA -0.106 4.214 4.320 0.000 0.000 0.217 123 A C 2.198 179.883 177.584 0.169 0.000 1.175 123 A CA 1.515 53.667 52.037 0.191 0.000 0.627 123 A CB -0.436 18.690 19.000 0.209 0.000 0.815 123 A HN 0.511 nan 8.150 nan 0.000 0.443 124 L N -2.843 118.476 121.223 0.160 0.000 2.093 124 L HA -0.175 4.165 4.340 0.000 0.000 0.208 124 L C 2.535 179.399 176.870 -0.009 0.000 1.085 124 L CA 1.070 55.937 54.840 0.044 0.000 0.755 124 L CB -0.439 41.607 42.059 -0.022 0.000 0.904 124 L HN 0.595 nan 8.230 nan 0.000 0.435 125 W N 0.591 121.914 121.300 0.039 0.000 2.418 125 W HA -0.191 4.469 4.660 0.000 0.000 0.292 125 W C 2.382 178.890 176.519 -0.020 0.000 1.213 125 W CA 1.267 58.614 57.345 0.004 0.000 1.283 125 W CB -0.215 29.239 29.460 -0.010 0.000 1.119 125 W HN 0.221 nan 8.180 nan 0.000 0.542 126 D N 0.332 120.864 120.400 0.221 0.000 2.104 126 D HA -0.236 4.404 4.640 0.000 0.000 0.194 126 D C 2.081 178.433 176.300 0.087 0.000 0.994 126 D CA 1.565 55.632 54.000 0.111 0.000 0.830 126 D CB -0.425 40.434 40.800 0.099 0.000 0.959 126 D HN 0.117 nan 8.370 nan 0.000 0.452 127 L N -0.026 121.247 121.223 0.084 0.000 2.083 127 L HA -0.158 4.182 4.340 0.000 0.000 0.209 127 L C 2.359 179.223 176.870 -0.010 0.000 1.083 127 L CA 1.456 56.329 54.840 0.055 0.000 0.752 127 L CB -0.301 41.794 42.059 0.061 0.000 0.899 127 L HN 0.033 nan 8.230 nan 0.000 0.433 128 K N -0.381 120.000 120.400 -0.032 0.000 2.097 128 K HA -0.150 4.170 4.320 0.000 0.000 0.205 128 K C 1.994 178.586 176.600 -0.013 0.000 1.050 128 K CA 1.116 57.357 56.287 -0.077 0.000 0.938 128 K CB -0.118 32.294 32.500 -0.147 0.000 0.718 128 K HN 0.431 nan 8.250 nan 0.000 0.442 129 A N 1.662 124.514 122.820 0.054 0.000 1.877 129 A HA -0.192 4.128 4.320 0.000 0.000 0.216 129 A C 1.918 179.520 177.584 0.030 0.000 1.186 129 A CA 1.791 53.861 52.037 0.055 0.000 0.620 129 A CB -0.414 18.618 19.000 0.054 0.000 0.822 129 A HN 0.312 nan 8.150 nan 0.000 0.443 130 K N -0.805 119.614 120.400 0.033 0.000 2.063 130 K HA -0.177 4.143 4.320 0.000 0.000 0.208 130 K C 2.342 178.971 176.600 0.049 0.000 1.048 130 K CA 1.515 57.831 56.287 0.048 0.000 0.928 130 K CB -0.218 32.326 32.500 0.073 0.000 0.713 130 K HN 0.476 nan 8.250 nan 0.000 0.442 131 R N 0.751 121.249 120.500 -0.003 0.000 2.139 131 R HA -0.144 4.196 4.340 0.000 0.000 0.243 131 R C 1.710 178.000 176.300 -0.017 0.000 1.145 131 R CA 1.625 57.680 56.100 -0.075 0.000 0.976 131 R CB -0.128 29.997 30.300 -0.292 0.000 0.866 131 R HN 0.202 nan 8.270 nan 0.000 0.449 132 A N -0.474 122.341 122.820 -0.008 0.000 2.275 132 A HA 0.243 4.563 4.320 0.000 0.000 0.212 132 A C 1.191 178.788 177.584 0.022 0.000 1.201 132 A CA 0.568 52.609 52.037 0.007 0.000 0.843 132 A CB 0.018 19.024 19.000 0.009 0.000 0.873 132 A HN 0.539 nan 8.150 nan 0.000 0.492 133 G N -0.773 108.046 108.800 0.031 0.000 2.225 133 G HA2 -0.228 3.732 3.960 0.000 0.000 0.267 133 G HA3 -0.228 3.732 3.960 0.000 0.000 0.267 133 G C -0.055 174.863 174.900 0.031 0.000 1.024 133 G CA 0.801 45.922 45.100 0.034 0.000 0.784 133 G HN 0.499 nan 8.290 nan 0.000 0.507 134 L N 0.202 121.443 121.223 0.031 0.000 2.323 134 L HA 0.689 5.030 4.340 0.000 0.000 0.265 134 L C 1.103 177.992 176.870 0.032 0.000 1.012 134 L CA -0.671 54.189 54.840 0.033 0.000 0.820 134 L CB 2.006 44.087 42.059 0.035 0.000 1.334 134 L HN 0.318 nan 8.230 nan 0.000 0.427 135 S N 0.389 116.115 115.700 0.044 0.000 2.600 135 S HA 0.132 4.602 4.470 0.000 0.000 0.265 135 S C 0.768 175.369 174.600 0.001 0.000 1.325 135 S CA -0.603 57.623 58.200 0.044 0.000 1.002 135 S CB 1.052 64.340 63.200 0.146 0.000 0.921 135 S HN 0.583 nan 8.310 nan 0.000 0.554 136 L N 1.721 122.843 121.223 -0.169 0.000 2.079 136 L HA 0.018 4.358 4.340 0.000 0.000 0.210 136 L C 2.543 179.417 176.870 0.007 0.000 1.081 136 L CA 2.354 57.102 54.840 -0.154 0.000 0.752 136 L CB -1.567 40.242 42.059 -0.418 0.000 0.896 136 L HN 0.934 nan 8.230 nan 0.000 0.433 137 A N -0.750 122.184 122.820 0.189 0.000 1.908 137 A HA -0.188 4.132 4.320 0.000 0.000 0.218 137 A C 2.255 179.895 177.584 0.093 0.000 1.181 137 A CA 1.756 53.901 52.037 0.180 0.000 0.627 137 A CB -0.471 18.662 19.000 0.221 0.000 0.818 137 A HN 0.404 nan 8.150 nan 0.000 0.445 138 K N -0.803 119.646 120.400 0.082 0.000 2.167 138 K HA 0.011 4.331 4.320 0.000 0.000 0.203 138 K C 1.868 178.494 176.600 0.044 0.000 1.052 138 K CA 0.886 57.201 56.287 0.047 0.000 0.956 138 K CB -0.687 31.837 32.500 0.041 0.000 0.735 138 K HN 0.453 nan 8.250 nan 0.000 0.451 139 L N 1.375 122.633 121.223 0.059 0.000 2.012 139 L HA -0.129 4.211 4.340 0.000 0.000 0.210 139 L C 1.954 178.880 176.870 0.092 0.000 1.073 139 L CA 1.594 56.483 54.840 0.082 0.000 0.748 139 L CB -0.483 41.649 42.059 0.122 0.000 0.891 139 L HN 0.048 nan 8.230 nan 0.000 0.431 140 L N -0.417 120.851 121.223 0.074 0.000 2.217 140 L HA 0.217 4.557 4.340 0.000 0.000 0.211 140 L C 0.888 177.783 176.870 0.042 0.000 1.107 140 L CA 0.417 55.293 54.840 0.060 0.000 0.783 140 L CB -0.871 41.193 42.059 0.008 0.000 0.919 140 L HN 0.527 nan 8.230 nan 0.000 0.442 141 G N 0.487 109.300 108.800 0.020 0.000 3.355 141 G HA2 -0.086 3.874 3.960 0.000 0.000 0.686 141 G HA3 -0.086 3.874 3.960 0.000 0.000 0.686 141 G C -0.324 174.549 174.900 -0.045 0.000 1.097 141 G CA -0.249 44.827 45.100 -0.039 0.000 0.881 141 G HN 0.286 nan 8.290 nan 0.000 0.550 142 S N 1.561 117.218 115.700 -0.071 0.000 2.704 142 S HA 0.834 5.304 4.470 0.000 0.000 0.305 142 S C 0.370 174.894 174.600 -0.127 0.000 1.107 142 S CA -0.656 57.541 58.200 -0.006 0.000 0.993 142 S CB 1.941 65.167 63.200 0.042 0.000 1.110 142 S HN 0.865 nan 8.310 nan 0.000 0.534 143 Y N 0.255 120.567 120.300 0.019 0.000 2.453 143 Y HA 0.387 4.937 4.550 0.000 0.000 0.247 143 Y C 0.862 176.765 175.900 0.006 0.000 1.124 143 Y CA -0.547 57.558 58.100 0.009 0.000 1.243 143 Y CB 0.601 39.065 38.460 0.006 0.000 1.213 143 Y HN 0.749 nan 8.280 nan 0.000 0.523 144 R N -1.534 119.051 120.500 0.141 0.000 2.663 144 R HA 0.298 4.638 4.340 0.000 0.000 0.267 144 R C -1.220 175.103 176.300 0.039 0.000 1.038 144 R CA -0.630 55.515 56.100 0.074 0.000 0.886 144 R CB 0.883 31.222 30.300 0.066 0.000 1.249 144 R HN -0.176 nan 8.270 nan 0.000 0.463 145 D N 0.659 121.069 120.400 0.015 0.000 2.350 145 D HA 0.035 4.675 4.640 0.000 0.000 0.213 145 D C 0.021 176.312 176.300 -0.015 0.000 1.031 145 D CA 0.850 54.851 54.000 0.000 0.000 0.861 145 D CB 0.621 41.420 40.800 -0.001 0.000 0.926 145 D HN 0.577 nan 8.370 nan 0.000 0.520 146 S N -0.697 114.993 115.700 -0.017 0.000 2.556 146 S HA 0.619 5.089 4.470 0.000 0.000 0.271 146 S C -0.896 173.680 174.600 -0.040 0.000 1.135 146 S CA -0.804 57.376 58.200 -0.033 0.000 0.858 146 S CB 2.543 65.721 63.200 -0.036 0.000 1.114 146 S HN -0.183 nan 8.310 nan 0.000 0.468 147 V N 2.065 121.948 119.914 -0.051 0.000 2.656 147 V HA 0.533 4.653 4.120 0.000 0.000 0.307 147 V C 0.145 176.169 176.094 -0.117 0.000 1.051 147 V CA -1.013 61.246 62.300 -0.067 0.000 0.893 147 V CB 1.796 33.608 31.823 -0.019 0.000 0.999 147 V HN 0.949 nan 8.190 nan 0.000 0.426 148 R N 2.237 122.579 120.500 -0.263 0.000 2.583 148 R HA 0.283 4.623 4.340 0.000 0.000 0.274 148 R C -0.027 176.182 176.300 -0.152 0.000 0.998 148 R CA 0.035 55.865 56.100 -0.450 0.000 1.081 148 R CB 0.086 29.654 30.300 -1.220 0.000 0.940 148 R HN 0.937 nan 8.270 nan 0.000 0.413 149 C N 1.801 121.129 119.300 0.047 0.000 2.971 149 C HA 0.891 5.352 4.460 0.000 0.000 0.310 149 C C -0.845 174.417 174.990 0.454 0.000 1.285 149 C CA -1.198 57.973 59.018 0.255 0.000 1.593 149 C CB 1.061 28.851 27.740 0.083 0.000 2.076 149 C HN 0.951 nan 8.230 nan 0.000 0.472 150 Y N 0.159 120.588 120.300 0.214 0.000 2.689 150 Y HA 0.882 5.433 4.550 0.000 0.000 0.333 150 Y C -0.856 175.003 175.900 -0.067 0.000 1.190 150 Y CA -0.660 57.475 58.100 0.059 0.000 1.063 150 Y CB 1.032 39.451 38.460 -0.069 0.000 1.294 150 Y HN 1.029 nan 8.280 nan 0.000 0.466 151 N N -1.766 116.886 118.700 -0.081 0.000 3.106 151 N HA 0.278 5.018 4.740 0.000 0.000 0.253 151 N C -0.478 174.937 175.510 -0.158 0.000 1.506 151 N CA -0.216 52.666 53.050 -0.280 0.000 0.876 151 N CB 1.170 39.496 38.487 -0.267 0.000 1.452 151 N HN 0.911 nan 8.380 nan 0.000 0.542 152 T N -4.128 110.275 114.554 -0.252 0.000 3.022 152 T HA 0.201 4.551 4.350 0.000 0.000 0.250 152 T C 0.028 174.609 174.700 -0.198 0.000 1.060 152 T CA 0.580 62.562 62.100 -0.197 0.000 1.013 152 T CB -0.600 68.136 68.868 -0.221 0.000 0.982 152 T HN 0.645 nan 8.240 nan 0.000 0.508 153 S N 0.696 116.286 115.700 -0.183 0.000 3.641 153 S HA -0.089 4.381 4.470 0.000 0.000 0.346 153 S C 1.419 175.923 174.600 -0.160 0.000 1.074 153 S CA 0.898 59.015 58.200 -0.138 0.000 1.026 153 S CB -2.000 61.136 63.200 -0.108 0.000 0.908 153 S HN 1.864 nan 8.310 nan 0.000 0.479 154 G N -0.492 108.184 108.800 -0.206 0.000 2.187 154 G HA2 -0.164 3.796 3.960 0.000 0.000 0.261 154 G HA3 -0.164 3.796 3.960 0.000 0.000 0.261 154 G C 0.335 174.887 174.900 -0.579 0.000 1.000 154 G CA 0.336 45.260 45.100 -0.294 0.000 0.718 154 G HN 1.550 nan 8.290 nan 0.000 0.519 155 G N -0.832 107.654 108.800 -0.523 0.000 2.395 155 G HA2 0.646 4.606 3.960 0.000 0.000 0.283 155 G HA3 0.646 4.606 3.960 0.000 0.000 0.283 155 G C -0.558 173.935 174.900 -0.679 0.000 1.178 155 G CA -0.574 44.239 45.100 -0.479 0.000 0.837 155 G HN 0.240 nan 8.290 nan 0.000 0.518 156 F N 0.307 120.164 119.950 -0.155 0.000 2.620 156 F HA 0.379 4.906 4.527 0.000 0.000 0.320 156 F C 0.908 176.552 175.800 -0.260 0.000 1.069 156 F CA -1.065 56.785 58.000 -0.249 0.000 0.953 156 F CB 1.682 40.369 39.000 -0.521 0.000 1.322 156 F HN 0.308 nan 8.300 nan 0.000 0.479 157 L N 1.120 122.369 121.223 0.043 0.000 2.129 157 L HA -0.220 4.120 4.340 0.000 0.000 0.212 157 L C 2.017 178.923 176.870 0.059 0.000 1.087 157 L CA 2.171 57.041 54.840 0.050 0.000 0.757 157 L CB -1.085 41.034 42.059 0.099 0.000 0.896 157 L HN 0.771 nan 8.230 nan 0.000 0.434 158 H N -4.801 114.353 119.070 0.140 0.000 2.529 158 H HA 0.301 4.857 4.556 0.000 0.000 0.277 158 H C 0.381 175.774 175.328 0.108 0.000 1.004 158 H CA -0.250 55.858 56.048 0.100 0.000 1.167 158 H CB -1.023 28.780 29.762 0.068 0.000 1.445 158 H HN 0.027 nan 8.280 nan 0.000 0.554 159 T N 3.561 118.106 114.554 -0.015 0.000 2.851 159 T HA 0.160 4.510 4.350 0.000 0.000 0.298 159 T C -2.327 172.396 174.700 0.038 0.000 0.977 159 T CA -1.200 60.923 62.100 0.039 0.000 1.126 159 T CB 0.979 69.832 68.868 -0.024 0.000 0.916 159 T HN 0.216 nan 8.240 nan 0.000 0.529 160 P HA 0.055 nan 4.420 nan 0.000 0.262 160 P C 0.987 178.285 177.300 -0.003 0.000 1.182 160 P CA -0.264 62.853 63.100 0.029 0.000 0.761 160 P CB 0.343 32.060 31.700 0.030 0.000 0.795 161 I N 4.336 124.902 120.570 -0.006 0.000 2.151 161 I HA -0.305 3.865 4.170 0.000 0.000 0.243 161 I C 1.727 177.803 176.117 -0.068 0.000 1.080 161 I CA 1.920 63.202 61.300 -0.030 0.000 1.339 161 I CB -0.565 37.426 38.000 -0.014 0.000 1.039 161 I HN 0.463 nan 8.210 nan 0.000 0.409 162 D N -0.494 119.871 120.400 -0.059 0.000 2.144 162 D HA -0.274 4.366 4.640 0.000 0.000 0.199 162 D C 1.885 178.126 176.300 -0.099 0.000 0.984 162 D CA 1.415 55.361 54.000 -0.091 0.000 0.834 162 D CB -0.700 40.069 40.800 -0.050 0.000 0.955 162 D HN 0.559 nan 8.370 nan 0.000 0.465 163 Q N -0.235 119.531 119.800 -0.057 0.000 2.079 163 Q HA -0.062 4.278 4.340 0.000 0.000 0.200 163 Q C 2.378 178.338 176.000 -0.067 0.000 0.974 163 Q CA 0.575 56.351 55.803 -0.045 0.000 0.840 163 Q CB -0.118 28.612 28.738 -0.013 0.000 0.898 163 Q HN 0.188 nan 8.270 nan 0.000 0.430 164 L N 0.540 121.717 121.223 -0.076 0.000 2.042 164 L HA -0.180 4.160 4.340 0.000 0.000 0.210 164 L C 2.029 178.832 176.870 -0.111 0.000 1.076 164 L CA 1.797 56.582 54.840 -0.091 0.000 0.749 164 L CB -0.378 41.629 42.059 -0.087 0.000 0.893 164 L HN 0.258 nan 8.230 nan 0.000 0.432 165 M N -2.054 117.439 119.600 -0.178 0.000 2.159 165 M HA -0.191 4.289 4.480 0.000 0.000 0.263 165 M C 2.111 178.278 176.300 -0.221 0.000 1.063 165 M CA 1.471 56.582 55.300 -0.314 0.000 1.110 165 M CB -0.540 31.624 32.600 -0.726 0.000 1.374 165 M HN 0.169 nan 8.290 nan 0.000 0.411 166 V N 1.082 120.904 119.914 -0.153 0.000 2.270 166 V HA -0.249 3.871 4.120 0.000 0.000 0.245 166 V C 2.066 178.162 176.094 0.003 0.000 1.043 166 V CA 1.759 64.045 62.300 -0.023 0.000 1.014 166 V CB -0.840 30.970 31.823 -0.022 0.000 0.645 166 V HN 0.470 nan 8.190 nan 0.000 0.447 167 N N 0.637 119.321 118.700 -0.027 0.000 2.149 167 N HA -0.139 4.601 4.740 0.000 0.000 0.188 167 N C 1.863 177.358 175.510 -0.025 0.000 1.019 167 N CA 1.673 54.708 53.050 -0.026 0.000 0.857 167 N CB -0.451 38.010 38.487 -0.044 0.000 0.997 167 N HN 0.506 nan 8.380 nan 0.000 0.426 168 A N 0.646 123.451 122.820 -0.024 0.000 1.898 168 A HA -0.058 4.262 4.320 0.000 0.000 0.216 168 A C 2.519 180.115 177.584 0.021 0.000 1.181 168 A CA 1.565 53.594 52.037 -0.013 0.000 0.620 168 A CB -0.671 18.325 19.000 -0.007 0.000 0.819 168 A HN 0.245 nan 8.150 nan 0.000 0.442 169 S N -0.140 115.606 115.700 0.076 0.000 2.382 169 S HA -0.045 4.425 4.470 0.000 0.000 0.228 169 S C 2.258 176.873 174.600 0.026 0.000 1.027 169 S CA 1.137 59.383 58.200 0.077 0.000 0.991 169 S CB -0.411 62.884 63.200 0.159 0.000 0.823 169 S HN 0.784 nan 8.310 nan 0.000 0.469 170 A N 1.280 124.111 122.820 0.018 0.000 1.902 170 A HA -0.067 4.254 4.320 0.000 0.000 0.217 170 A C 2.347 179.917 177.584 -0.024 0.000 1.181 170 A CA 1.823 53.858 52.037 -0.002 0.000 0.623 170 A CB -0.937 18.061 19.000 -0.003 0.000 0.818 170 A HN 0.437 nan 8.150 nan 0.000 0.443 171 S N 0.011 115.690 115.700 -0.036 0.000 2.359 171 S HA -0.139 4.331 4.470 0.000 0.000 0.224 171 S C 1.825 176.391 174.600 -0.058 0.000 1.035 171 S CA 1.499 59.660 58.200 -0.065 0.000 1.018 171 S CB -0.393 62.761 63.200 -0.076 0.000 0.876 171 S HN 0.469 nan 8.310 nan 0.000 0.448 172 I N 1.791 122.340 120.570 -0.034 0.000 2.264 172 I HA -0.158 4.013 4.170 0.000 0.000 0.248 172 I C 2.521 178.621 176.117 -0.028 0.000 1.111 172 I CA 1.306 62.591 61.300 -0.025 0.000 1.382 172 I CB -1.343 36.650 38.000 -0.013 0.000 1.060 172 I HN 0.444 nan 8.210 nan 0.000 0.418 173 E N 1.209 121.394 120.200 -0.025 0.000 2.077 173 E HA -0.205 4.145 4.350 0.000 0.000 0.193 173 E C 2.009 178.590 176.600 -0.031 0.000 0.989 173 E CA 1.027 57.413 56.400 -0.023 0.000 0.800 173 E CB 0.061 29.751 29.700 -0.016 0.000 0.746 173 E HN 0.415 nan 8.360 nan 0.000 0.452 174 R N -1.144 119.330 120.500 -0.044 0.000 2.319 174 R HA 0.052 4.392 4.340 0.000 0.000 0.204 174 R C 1.000 177.259 176.300 -0.069 0.000 0.954 174 R CA 0.542 56.608 56.100 -0.057 0.000 1.066 174 R CB 0.508 30.764 30.300 -0.074 0.000 0.991 174 R HN 0.360 nan 8.270 nan 0.000 0.486 175 G N 0.566 109.332 108.800 -0.058 0.000 2.184 175 G HA2 -0.188 3.772 3.960 0.000 0.000 0.206 175 G HA3 -0.188 3.772 3.960 0.000 0.000 0.206 175 G C 0.195 175.061 174.900 -0.057 0.000 0.995 175 G CA -0.653 44.414 45.100 -0.054 0.000 0.651 175 G HN 0.105 nan 8.290 nan 0.000 0.511 176 I N 1.609 122.138 120.570 -0.070 0.000 2.692 176 I HA 0.312 4.482 4.170 0.000 0.000 0.284 176 I C 1.788 177.916 176.117 0.019 0.000 1.159 176 I CA 1.280 62.551 61.300 -0.049 0.000 1.423 176 I CB 0.929 38.884 38.000 -0.074 0.000 1.380 176 I HN 0.147 nan 8.210 nan 0.000 0.580 177 G N 4.050 112.904 108.800 0.091 0.000 3.088 177 G HA2 0.441 4.401 3.960 0.000 0.000 0.217 177 G HA3 0.441 4.401 3.960 0.000 0.000 0.217 177 G C 0.507 175.579 174.900 0.286 0.000 1.159 177 G CA 0.421 45.615 45.100 0.158 0.000 0.760 177 G HN 0.897 nan 8.290 nan 0.000 0.550 178 G N -0.505 108.429 108.800 0.223 0.000 2.523 178 G HA2 0.455 4.415 3.960 0.000 0.000 0.291 178 G HA3 0.455 4.415 3.960 0.000 0.000 0.291 178 G C -1.971 172.931 174.900 0.004 0.000 1.450 178 G CA -0.676 44.471 45.100 0.078 0.000 0.790 178 G HN 0.007 nan 8.290 nan 0.000 0.496 179 I N 0.414 120.905 120.570 -0.133 0.000 2.533 179 I HA 0.468 4.638 4.170 0.000 0.000 0.290 179 I C -0.329 175.649 176.117 -0.233 0.000 1.056 179 I CA -0.908 60.319 61.300 -0.121 0.000 1.057 179 I CB 1.924 39.864 38.000 -0.101 0.000 1.240 179 I HN 0.553 nan 8.210 nan 0.000 0.423 180 K N 6.709 127.016 120.400 -0.156 0.000 2.235 180 K HA 0.696 5.016 4.320 0.000 0.000 0.266 180 K C -1.422 175.084 176.600 -0.157 0.000 0.980 180 K CA -0.480 55.672 56.287 -0.225 0.000 0.849 180 K CB 1.278 33.724 32.500 -0.090 0.000 1.098 180 K HN 0.515 nan 8.250 nan 0.000 0.445 181 L N 4.250 125.361 121.223 -0.187 0.000 2.307 181 L HA 0.440 4.780 4.340 0.000 0.000 0.284 181 L C -0.141 176.663 176.870 -0.109 0.000 1.023 181 L CA -0.955 53.803 54.840 -0.137 0.000 0.810 181 L CB 1.665 43.642 42.059 -0.138 0.000 1.231 181 L HN 0.493 nan 8.230 nan 0.000 0.423 182 K N 2.575 122.938 120.400 -0.063 0.000 2.322 182 K HA 0.480 4.800 4.320 0.000 0.000 0.283 182 K C -0.362 176.224 176.600 -0.023 0.000 1.042 182 K CA -0.305 55.963 56.287 -0.033 0.000 0.958 182 K CB 1.430 33.945 32.500 0.025 0.000 0.984 182 K HN 0.465 nan 8.250 nan 0.000 0.473 183 V N -1.733 118.155 119.914 -0.045 0.000 3.119 183 V HA 0.867 4.988 4.120 0.000 0.000 0.311 183 V C 0.545 176.603 176.094 -0.061 0.000 1.259 183 V CA -0.147 62.171 62.300 0.030 0.000 1.067 183 V CB 1.360 33.280 31.823 0.161 0.000 1.123 183 V HN 0.878 nan 8.190 nan 0.000 0.463 184 G N 0.044 108.884 108.800 0.067 0.000 2.175 184 G HA2 -0.135 3.825 3.960 0.000 0.000 0.182 184 G HA3 -0.135 3.825 3.960 0.000 0.000 0.182 184 G C 0.079 175.047 174.900 0.113 0.000 1.003 184 G CA 0.166 45.222 45.100 -0.073 0.000 0.666 184 G HN 1.381 nan 8.290 nan 0.000 0.506 185 Q N 0.196 120.088 119.800 0.153 0.000 2.443 185 Q HA 0.542 4.882 4.340 0.000 0.000 0.232 185 Q C -1.428 174.665 176.000 0.155 0.000 1.026 185 Q CA -0.959 54.920 55.803 0.127 0.000 0.924 185 Q CB 0.826 29.628 28.738 0.106 0.000 1.256 185 Q HN 0.102 nan 8.270 nan 0.000 0.519 186 P HA -0.208 nan 4.420 nan 0.000 0.216 186 P C -0.299 177.051 177.300 0.083 0.000 1.157 186 P CA 1.827 64.985 63.100 0.096 0.000 0.880 186 P CB -0.010 31.729 31.700 0.064 0.000 0.791 187 D N -1.171 119.272 120.400 0.071 0.000 2.441 187 D HA 0.199 4.839 4.640 0.000 0.000 0.221 187 D C 1.526 177.858 176.300 0.054 0.000 1.156 187 D CA -0.216 53.813 54.000 0.048 0.000 0.896 187 D CB -0.125 40.697 40.800 0.037 0.000 1.028 187 D HN -0.050 nan 8.370 nan 0.000 0.509 188 G N 2.957 111.776 108.800 0.032 0.000 2.432 188 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 188 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 188 G C 1.457 176.334 174.900 -0.037 0.000 1.135 188 G CA 0.676 45.780 45.100 0.006 0.000 0.767 188 G HN 0.595 nan 8.290 nan 0.000 0.550 189 A N 0.169 122.965 122.820 -0.039 0.000 2.019 189 A HA 0.081 4.401 4.320 0.000 0.000 0.219 189 A C 2.296 179.877 177.584 -0.005 0.000 1.164 189 A CA 1.248 53.262 52.037 -0.040 0.000 0.644 189 A CB -0.281 18.703 19.000 -0.027 0.000 0.805 189 A HN 0.314 nan 8.150 nan 0.000 0.449 190 L N 0.035 121.270 121.223 0.020 0.000 2.056 190 L HA -0.124 4.217 4.340 0.000 0.000 0.207 190 L C 1.838 178.742 176.870 0.057 0.000 1.078 190 L CA 1.903 56.767 54.840 0.040 0.000 0.749 190 L CB -0.717 41.371 42.059 0.049 0.000 0.901 190 L HN 0.339 nan 8.230 nan 0.000 0.433 191 D N -0.608 119.838 120.400 0.077 0.000 2.117 191 D HA -0.150 4.490 4.640 0.000 0.000 0.197 191 D C 2.359 178.727 176.300 0.113 0.000 0.987 191 D CA 1.267 55.344 54.000 0.128 0.000 0.829 191 D CB 0.020 40.959 40.800 0.230 0.000 0.961 191 D HN 0.313 nan 8.370 nan 0.000 0.460 192 I N 1.341 121.915 120.570 0.008 0.000 2.179 192 I HA -0.259 3.911 4.170 0.000 0.000 0.242 192 I C 2.545 178.711 176.117 0.083 0.000 1.088 192 I CA 1.138 62.408 61.300 -0.050 0.000 1.357 192 I CB -0.257 37.653 38.000 -0.149 0.000 1.051 192 I HN -0.086 nan 8.210 nan 0.000 0.409 193 A N 0.738 123.599 122.820 0.069 0.000 1.933 193 A HA -0.188 4.132 4.320 0.000 0.000 0.218 193 A C 2.389 180.027 177.584 0.090 0.000 1.175 193 A CA 1.444 53.531 52.037 0.084 0.000 0.628 193 A CB -0.531 18.501 19.000 0.054 0.000 0.814 193 A HN 0.319 nan 8.150 nan 0.000 0.444 194 R N -0.779 119.767 120.500 0.076 0.000 2.075 194 R HA -0.058 4.283 4.340 0.000 0.000 0.232 194 R C 2.001 178.343 176.300 0.071 0.000 1.126 194 R CA 1.410 57.546 56.100 0.061 0.000 0.963 194 R CB -0.451 29.878 30.300 0.049 0.000 0.858 194 R HN 0.390 nan 8.270 nan 0.000 0.435 195 V N 0.395 120.364 119.914 0.092 0.000 2.358 195 V HA -0.225 3.895 4.120 0.000 0.000 0.246 195 V C 2.085 178.305 176.094 0.209 0.000 1.047 195 V CA 2.121 64.472 62.300 0.085 0.000 1.035 195 V CB -0.563 31.257 31.823 -0.005 0.000 0.658 195 V HN 0.394 nan 8.190 nan 0.000 0.452 196 T N 0.646 115.379 114.554 0.300 0.000 2.720 196 T HA -0.211 4.139 4.350 0.000 0.000 0.268 196 T C 2.074 176.874 174.700 0.165 0.000 1.037 196 T CA 1.795 64.080 62.100 0.309 0.000 1.144 196 T CB -0.447 68.571 68.868 0.251 0.000 0.864 196 T HN 0.581 nan 8.240 nan 0.000 0.444 197 A N 0.836 123.728 122.820 0.119 0.000 1.902 197 A HA -0.037 4.283 4.320 0.000 0.000 0.217 197 A C 2.596 180.237 177.584 0.095 0.000 1.181 197 A CA 1.349 53.438 52.037 0.085 0.000 0.623 197 A CB -0.950 18.081 19.000 0.050 0.000 0.818 197 A HN 0.363 nan 8.150 nan 0.000 0.443 198 V N 0.295 120.257 119.914 0.081 0.000 2.343 198 V HA -0.238 3.882 4.120 0.000 0.000 0.247 198 V C 2.677 178.834 176.094 0.105 0.000 1.051 198 V CA 2.320 64.668 62.300 0.078 0.000 1.036 198 V CB -0.857 30.983 31.823 0.028 0.000 0.654 198 V HN 0.676 nan 8.190 nan 0.000 0.451 199 R N 1.595 122.161 120.500 0.109 0.000 2.083 199 R HA -0.210 4.130 4.340 0.000 0.000 0.237 199 R C 2.136 178.480 176.300 0.073 0.000 1.137 199 R CA 2.256 58.414 56.100 0.097 0.000 0.951 199 R CB -0.725 29.663 30.300 0.147 0.000 0.851 199 R HN 0.425 nan 8.270 nan 0.000 0.434 200 K N -0.657 119.793 120.400 0.085 0.000 2.057 200 K HA -0.166 4.154 4.320 0.000 0.000 0.206 200 K C 2.084 178.728 176.600 0.073 0.000 1.050 200 K CA 2.149 58.474 56.287 0.064 0.000 0.935 200 K CB -0.725 31.815 32.500 0.067 0.000 0.715 200 K HN 0.501 nan 8.250 nan 0.000 0.439 201 H N -0.387 118.689 119.070 0.011 0.000 2.389 201 H HA 0.085 4.641 4.556 0.000 0.000 0.299 201 H C 1.558 176.885 175.328 -0.001 0.000 1.081 201 H CA 2.116 58.166 56.048 0.004 0.000 1.345 201 H CB 0.097 29.860 29.762 0.003 0.000 1.393 201 H HN 0.186 nan 8.280 nan 0.000 0.520 202 L N -1.051 120.186 121.223 0.023 0.000 2.307 202 L HA 0.249 4.589 4.340 0.000 0.000 0.211 202 L C 1.021 177.864 176.870 -0.045 0.000 1.099 202 L CA 0.262 55.082 54.840 -0.034 0.000 0.816 202 L CB -0.143 41.930 42.059 0.025 0.000 0.952 202 L HN 0.570 nan 8.230 nan 0.000 0.455 203 G N 0.077 108.864 108.800 -0.022 0.000 2.662 203 G HA2 -0.201 3.759 3.960 0.000 0.000 0.686 203 G HA3 -0.201 3.759 3.960 0.000 0.000 0.686 203 G C -0.442 174.453 174.900 -0.008 0.000 1.271 203 G CA -0.316 44.771 45.100 -0.021 0.000 0.816 203 G HN 0.033 nan 8.290 nan 0.000 0.608 204 D N 0.159 120.554 120.400 -0.009 0.000 2.264 204 D HA 0.121 4.762 4.640 0.000 0.000 0.208 204 D C 2.545 178.845 176.300 0.000 0.000 0.966 204 D CA 1.765 55.763 54.000 -0.004 0.000 0.864 204 D CB -0.180 40.615 40.800 -0.007 0.000 0.933 204 D HN 0.910 nan 8.370 nan 0.000 0.499 205 A N -0.025 122.795 122.820 -0.002 0.000 2.167 205 A HA 0.075 4.395 4.320 0.000 0.000 0.214 205 A C 0.923 178.514 177.584 0.011 0.000 1.151 205 A CA 0.114 52.154 52.037 0.006 0.000 0.735 205 A CB 0.291 19.292 19.000 0.001 0.000 0.802 205 A HN 0.042 nan 8.150 nan 0.000 0.467 206 V N 2.154 122.070 119.914 0.002 0.000 2.364 206 V HA 0.242 4.362 4.120 0.000 0.000 0.272 206 V C -2.444 173.637 176.094 -0.021 0.000 1.036 206 V CA -1.753 60.548 62.300 0.001 0.000 0.880 206 V CB 0.903 32.722 31.823 -0.007 0.000 0.991 206 V HN 0.197 nan 8.190 nan 0.000 0.460 207 P HA 0.260 nan 4.420 nan 0.000 0.265 207 P C -0.792 176.364 177.300 -0.239 0.000 1.193 207 P CA 0.135 63.171 63.100 -0.107 0.000 0.765 207 P CB 0.493 32.173 31.700 -0.033 0.000 0.823 208 L N 3.223 124.258 121.223 -0.313 0.000 2.401 208 L HA 0.596 4.936 4.340 0.000 0.000 0.266 208 L C -0.265 176.256 176.870 -0.581 0.000 0.991 208 L CA -0.773 53.843 54.840 -0.374 0.000 0.818 208 L CB 1.856 43.784 42.059 -0.218 0.000 1.321 208 L HN 0.297 nan 8.230 nan 0.000 0.413 209 M N 2.812 121.990 119.600 -0.704 0.000 2.619 209 M HA 0.698 5.178 4.480 0.000 0.000 0.297 209 M C -0.745 175.210 176.300 -0.576 0.000 1.229 209 M CA -0.768 53.995 55.300 -0.894 0.000 0.860 209 M CB 2.454 34.064 32.600 -1.650 0.000 1.741 209 M HN 0.286 nan 8.290 nan 0.000 0.462 210 V N -2.288 117.348 119.914 -0.464 0.000 2.823 210 V HA 0.840 4.960 4.120 0.000 0.000 0.312 210 V C -1.706 174.295 176.094 -0.156 0.000 1.072 210 V CA -0.470 61.636 62.300 -0.325 0.000 0.937 210 V CB 2.143 33.688 31.823 -0.463 0.000 1.013 210 V HN 0.833 nan 8.190 nan 0.000 0.430 211 D N 2.388 122.716 120.400 -0.120 0.000 2.549 211 D HA 0.696 5.336 4.640 0.000 0.000 0.251 211 D C 0.478 176.668 176.300 -0.183 0.000 1.153 211 D CA 0.085 54.039 54.000 -0.075 0.000 0.861 211 D CB 2.186 42.993 40.800 0.012 0.000 1.207 211 D HN 0.876 nan 8.370 nan 0.000 0.543 212 A N 3.693 126.314 122.820 -0.332 0.000 2.178 212 A HA 0.057 4.377 4.320 0.000 0.000 0.211 212 A C 0.876 178.216 177.584 -0.406 0.000 1.157 212 A CA -0.032 51.631 52.037 -0.624 0.000 0.780 212 A CB -0.241 17.919 19.000 -1.400 0.000 0.828 212 A HN 0.755 nan 8.150 nan 0.000 0.476 213 N N 0.398 118.967 118.700 -0.219 0.000 2.714 213 N HA -0.242 4.498 4.740 0.000 0.000 0.252 213 N C -0.442 174.988 175.510 -0.134 0.000 1.014 213 N CA 1.209 54.184 53.050 -0.126 0.000 0.735 213 N CB -1.419 37.027 38.487 -0.067 0.000 0.924 213 N HN 0.805 nan 8.380 nan 0.000 0.540 214 Q N -3.046 116.668 119.800 -0.143 0.000 2.468 214 Q HA -0.312 4.028 4.340 0.000 0.000 0.256 214 Q C 0.563 176.504 176.000 -0.098 0.000 0.984 214 Q CA 1.442 57.195 55.803 -0.083 0.000 1.110 214 Q CB -1.543 27.175 28.738 -0.033 0.000 1.527 214 Q HN 0.662 nan 8.270 nan 0.000 0.535 215 Q N -0.775 118.893 119.800 -0.220 0.000 2.451 215 Q HA -0.026 4.314 4.340 0.000 0.000 0.206 215 Q C 0.080 176.079 176.000 -0.001 0.000 0.947 215 Q CA 0.393 56.104 55.803 -0.154 0.000 0.937 215 Q CB 0.342 28.955 28.738 -0.208 0.000 1.025 215 Q HN 0.293 nan 8.270 nan 0.000 0.511 216 W N 2.185 123.499 121.300 0.022 0.000 2.516 216 W HA 0.208 4.868 4.660 0.000 0.000 0.343 216 W C 0.121 176.637 176.519 -0.006 0.000 1.094 216 W CA -1.701 55.651 57.345 0.012 0.000 1.250 216 W CB 0.439 29.911 29.460 0.020 0.000 1.308 216 W HN 0.046 nan 8.180 nan 0.000 0.588 217 D N 0.016 120.554 120.400 0.230 0.000 2.432 217 D HA 0.287 4.927 4.640 0.000 0.000 0.258 217 D C 1.135 177.489 176.300 0.090 0.000 1.146 217 D CA -0.535 53.532 54.000 0.110 0.000 1.015 217 D CB 0.911 41.752 40.800 0.067 0.000 1.107 217 D HN 0.222 nan 8.370 nan 0.000 0.529 218 R N -0.146 120.379 120.500 0.041 0.000 2.097 218 R HA -0.097 4.244 4.340 0.000 0.000 0.236 218 R C -0.642 175.672 176.300 0.023 0.000 1.135 218 R CA 1.984 58.101 56.100 0.029 0.000 0.934 218 R CB -1.587 28.719 30.300 0.010 0.000 0.846 218 R HN 0.538 nan 8.270 nan 0.000 0.431 219 P HA -0.122 nan 4.420 nan 0.000 0.215 219 P C 0.989 178.255 177.300 -0.058 0.000 1.153 219 P CA 1.611 64.703 63.100 -0.012 0.000 0.853 219 P CB -0.118 31.575 31.700 -0.011 0.000 0.788 220 T N 0.262 114.771 114.554 -0.075 0.000 2.777 220 T HA -0.047 4.303 4.350 0.000 0.000 0.266 220 T C 2.115 176.580 174.700 -0.393 0.000 1.040 220 T CA 1.655 63.633 62.100 -0.204 0.000 1.141 220 T CB -0.819 67.962 68.868 -0.146 0.000 0.868 220 T HN 0.094 nan 8.240 nan 0.000 0.444 221 A N 1.487 124.185 122.820 -0.204 0.000 1.933 221 A HA -0.151 4.170 4.320 0.000 0.000 0.218 221 A C 2.382 179.862 177.584 -0.174 0.000 1.175 221 A CA 1.180 53.110 52.037 -0.180 0.000 0.628 221 A CB -0.504 18.614 19.000 0.197 0.000 0.814 221 A HN 0.370 nan 8.150 nan 0.000 0.444 222 Q N -0.401 119.375 119.800 -0.040 0.000 2.050 222 Q HA -0.187 4.154 4.340 0.000 0.000 0.202 222 Q C 2.293 178.268 176.000 -0.041 0.000 0.980 222 Q CA 1.806 57.667 55.803 0.097 0.000 0.840 222 Q CB -0.291 28.518 28.738 0.118 0.000 0.898 222 Q HN 0.695 nan 8.270 nan 0.000 0.424 223 R N -0.427 119.982 120.500 -0.151 0.000 2.075 223 R HA -0.025 4.315 4.340 0.000 0.000 0.232 223 R C 2.391 178.481 176.300 -0.350 0.000 1.126 223 R CA 1.183 57.162 56.100 -0.201 0.000 0.963 223 R CB -0.106 30.080 30.300 -0.190 0.000 0.858 223 R HN 0.197 nan 8.270 nan 0.000 0.435 224 M N -0.188 119.085 119.600 -0.546 0.000 2.132 224 M HA -0.155 4.325 4.480 0.000 0.000 0.263 224 M C 2.407 178.418 176.300 -0.481 0.000 1.065 224 M CA 1.312 56.200 55.300 -0.687 0.000 1.122 224 M CB -0.943 30.924 32.600 -1.222 0.000 1.365 224 M HN 0.253 nan 8.290 nan 0.000 0.411 225 C N -0.367 118.656 119.300 -0.461 0.000 2.413 225 C HA -0.148 4.312 4.460 0.000 0.000 0.277 225 C C 2.920 177.453 174.990 -0.761 0.000 1.265 225 C CA 0.862 59.566 59.018 -0.524 0.000 1.752 225 C CB -1.077 26.183 27.740 -0.800 0.000 1.998 225 C HN 0.544 nan 8.230 nan 0.000 0.489 226 R N 0.595 120.665 120.500 -0.718 0.000 2.092 226 R HA -0.061 4.280 4.340 0.000 0.000 0.231 226 R C 1.884 178.097 176.300 -0.145 0.000 1.119 226 R CA 1.325 57.227 56.100 -0.331 0.000 0.970 226 R CB -0.104 30.197 30.300 0.002 0.000 0.864 226 R HN 0.360 nan 8.270 nan 0.000 0.440 227 I N 0.121 120.560 120.570 -0.217 0.000 2.353 227 I HA -0.176 3.994 4.170 0.000 0.000 0.248 227 I C 1.605 177.712 176.117 -0.016 0.000 1.119 227 I CA 1.125 62.325 61.300 -0.165 0.000 1.417 227 I CB -0.947 36.846 38.000 -0.346 0.000 1.078 227 I HN 0.094 nan 8.210 nan 0.000 0.421 228 F N 1.505 121.414 119.950 -0.069 0.000 2.502 228 F HA -0.032 4.495 4.527 0.000 0.000 0.298 228 F C 2.376 178.268 175.800 0.153 0.000 1.111 228 F CA 0.355 58.333 58.000 -0.037 0.000 1.445 228 F CB -0.511 38.362 39.000 -0.212 0.000 1.081 228 F HN 0.094 nan 8.300 nan 0.000 0.558 229 E N 0.817 121.155 120.200 0.229 0.000 2.048 229 E HA -0.216 4.135 4.350 0.000 0.000 0.202 229 E C -0.275 176.454 176.600 0.216 0.000 1.021 229 E CA 1.893 58.406 56.400 0.188 0.000 0.825 229 E CB -1.978 27.813 29.700 0.151 0.000 0.756 229 E HN 0.266 nan 8.360 nan 0.000 0.454 230 P HA -0.124 nan 4.420 nan 0.000 0.228 230 P C 1.132 178.456 177.300 0.039 0.000 1.151 230 P CA 0.958 64.103 63.100 0.076 0.000 0.770 230 P CB -0.334 31.357 31.700 -0.015 0.000 0.786 231 F N 0.181 120.174 119.950 0.072 0.000 2.558 231 F HA 0.051 4.578 4.527 0.000 0.000 0.298 231 F C 0.930 176.738 175.800 0.014 0.000 1.119 231 F CA 0.302 58.337 58.000 0.058 0.000 1.451 231 F CB -0.689 38.378 39.000 0.112 0.000 1.091 231 F HN -0.094 nan 8.300 nan 0.000 0.563 232 N N 1.445 120.257 118.700 0.188 0.000 2.727 232 N HA -0.193 4.547 4.740 0.000 0.000 0.251 232 N C -0.559 174.977 175.510 0.043 0.000 1.040 232 N CA 0.427 53.536 53.050 0.098 0.000 0.712 232 N CB -1.643 36.882 38.487 0.064 0.000 0.912 232 N HN 0.242 nan 8.380 nan 0.000 0.545 233 L N -0.569 120.661 121.223 0.011 0.000 2.464 233 L HA 0.123 4.463 4.340 0.000 0.000 0.264 233 L C 2.151 178.916 176.870 -0.174 0.000 1.199 233 L CA -0.596 54.156 54.840 -0.146 0.000 0.818 233 L CB 0.489 42.397 42.059 -0.251 0.000 1.102 233 L HN -0.107 nan 8.230 nan 0.000 0.473 234 V N 0.275 119.958 119.914 -0.385 0.000 2.358 234 V HA -0.131 3.989 4.120 0.000 0.000 0.246 234 V C -0.013 175.964 176.094 -0.196 0.000 1.047 234 V CA 1.477 63.533 62.300 -0.408 0.000 1.035 234 V CB -0.650 30.580 31.823 -0.988 0.000 0.658 234 V HN 0.930 nan 8.190 nan 0.000 0.452 235 W N -2.834 118.260 121.300 -0.344 0.000 3.057 235 W HA 0.648 5.308 4.660 0.000 0.000 0.328 235 W C -1.854 174.512 176.519 -0.256 0.000 1.232 235 W CA -1.803 55.391 57.345 -0.251 0.000 1.187 235 W CB 0.266 29.522 29.460 -0.341 0.000 1.417 235 W HN -0.234 nan 8.180 nan 0.000 0.569 236 I N 2.614 123.331 120.570 0.246 0.000 2.354 236 I HA 0.219 4.389 4.170 0.000 0.000 0.286 236 I C -0.082 176.142 176.117 0.179 0.000 1.007 236 I CA -0.765 60.617 61.300 0.138 0.000 1.167 236 I CB 1.517 39.595 38.000 0.131 0.000 1.320 236 I HN 0.564 nan 8.210 nan 0.000 0.458 237 E N 6.716 127.012 120.200 0.159 0.000 2.249 237 E HA 0.163 4.513 4.350 0.000 0.000 0.280 237 E C -0.322 176.254 176.600 -0.041 0.000 1.016 237 E CA -0.359 56.045 56.400 0.007 0.000 0.830 237 E CB 0.782 30.515 29.700 0.056 0.000 1.081 237 E HN 0.481 nan 8.360 nan 0.000 0.395 238 E N 2.814 122.975 120.200 -0.066 0.000 2.149 238 E HA -0.179 4.171 4.350 0.000 0.000 0.191 238 E C -1.829 174.789 176.600 0.028 0.000 1.384 238 E CA 0.137 56.527 56.400 -0.016 0.000 0.698 238 E CB -0.431 29.226 29.700 -0.071 0.000 1.086 238 E HN 0.540 nan 8.360 nan 0.000 0.338 239 P HA -0.091 nan 4.420 nan 0.000 0.221 239 P C 0.681 178.089 177.300 0.180 0.000 1.150 239 P CA 1.127 64.339 63.100 0.187 0.000 0.800 239 P CB 0.398 32.407 31.700 0.514 0.000 0.787 240 L N -1.184 120.141 121.223 0.170 0.000 2.235 240 L HA 0.420 4.760 4.340 0.000 0.000 0.260 240 L C 0.628 177.523 176.870 0.041 0.000 1.025 240 L CA -1.305 53.512 54.840 -0.038 0.000 0.836 240 L CB 0.809 42.597 42.059 -0.451 0.000 1.395 240 L HN -0.191 nan 8.230 nan 0.000 0.443 241 D N 0.546 120.940 120.400 -0.011 0.000 2.488 241 D HA -0.027 4.613 4.640 0.000 0.000 0.238 241 D C 0.831 177.162 176.300 0.052 0.000 1.138 241 D CA 0.477 54.490 54.000 0.021 0.000 0.873 241 D CB 1.680 42.489 40.800 0.015 0.000 1.183 241 D HN 0.662 nan 8.370 nan 0.000 0.458 242 A N 4.044 126.852 122.820 -0.020 0.000 2.084 242 A HA -0.231 4.090 4.320 0.000 0.000 0.221 242 A C 1.262 178.599 177.584 -0.412 0.000 1.161 242 A CA 1.287 53.199 52.037 -0.208 0.000 0.653 242 A CB -0.454 18.317 19.000 -0.380 0.000 0.802 242 A HN 0.729 nan 8.150 nan 0.000 0.457 243 Y N -1.233 118.996 120.300 -0.117 0.000 2.458 243 Y HA 0.181 4.731 4.550 0.000 0.000 0.256 243 Y C 0.571 176.155 175.900 -0.526 0.000 1.159 243 Y CA -0.554 57.325 58.100 -0.368 0.000 1.261 243 Y CB 0.385 38.689 38.460 -0.260 0.000 1.119 243 Y HN 0.211 nan 8.280 nan 0.000 0.524 244 D N 0.057 120.359 120.400 -0.164 0.000 2.619 244 D HA 0.017 4.657 4.640 0.000 0.000 0.224 244 D C 0.863 177.110 176.300 -0.089 0.000 1.133 244 D CA 0.271 54.170 54.000 -0.168 0.000 1.017 244 D CB -0.363 40.339 40.800 -0.163 0.000 1.077 244 D HN 0.482 nan 8.370 nan 0.000 0.503 245 H N 0.531 119.544 119.070 -0.095 0.000 2.352 245 H HA -0.085 4.472 4.556 0.000 0.000 0.299 245 H C 1.515 176.737 175.328 -0.178 0.000 1.097 245 H CA 1.099 57.030 56.048 -0.195 0.000 1.311 245 H CB 0.537 29.938 29.762 -0.601 0.000 1.377 245 H HN 0.393 nan 8.280 nan 0.000 0.504 246 E N 0.079 120.221 120.200 -0.096 0.000 2.150 246 E HA -0.112 4.238 4.350 0.000 0.000 0.193 246 E C 2.542 179.158 176.600 0.026 0.000 0.985 246 E CA 0.634 57.038 56.400 0.008 0.000 0.814 246 E CB -0.042 29.668 29.700 0.018 0.000 0.752 246 E HN 0.558 nan 8.360 nan 0.000 0.466 247 G N 0.394 109.178 108.800 -0.027 0.000 2.394 247 G HA2 -0.225 3.735 3.960 0.000 0.000 0.215 247 G HA3 -0.225 3.735 3.960 0.000 0.000 0.215 247 G C 1.308 176.197 174.900 -0.018 0.000 1.165 247 G CA 0.462 45.530 45.100 -0.052 0.000 0.784 247 G HN 0.244 nan 8.290 nan 0.000 0.535 248 H N 0.905 120.010 119.070 0.059 0.000 2.353 248 H HA 0.019 4.575 4.556 0.000 0.000 0.300 248 H C 2.945 178.323 175.328 0.083 0.000 1.090 248 H CA 1.249 57.343 56.048 0.077 0.000 1.327 248 H CB -0.411 29.387 29.762 0.059 0.000 1.383 248 H HN 0.369 nan 8.280 nan 0.000 0.508 249 A N 1.123 124.061 122.820 0.197 0.000 1.902 249 A HA -0.103 4.217 4.320 0.000 0.000 0.217 249 A C 2.714 180.361 177.584 0.105 0.000 1.181 249 A CA 1.782 53.905 52.037 0.143 0.000 0.623 249 A CB -0.812 18.278 19.000 0.150 0.000 0.818 249 A HN 0.435 nan 8.150 nan 0.000 0.443 250 A N -0.344 122.528 122.820 0.087 0.000 1.902 250 A HA -0.036 4.285 4.320 0.000 0.000 0.217 250 A C 2.191 179.804 177.584 0.049 0.000 1.181 250 A CA 1.520 53.585 52.037 0.048 0.000 0.623 250 A CB -0.580 18.441 19.000 0.035 0.000 0.818 250 A HN 0.471 nan 8.150 nan 0.000 0.443 251 L N -0.828 120.473 121.223 0.130 0.000 2.005 251 L HA -0.178 4.162 4.340 0.000 0.000 0.207 251 L C 3.144 180.160 176.870 0.242 0.000 1.072 251 L CA 1.119 56.109 54.840 0.249 0.000 0.744 251 L CB -0.603 41.657 42.059 0.336 0.000 0.895 251 L HN 0.421 nan 8.230 nan 0.000 0.433 252 A N -0.054 122.887 122.820 0.201 0.000 1.917 252 A HA -0.234 4.086 4.320 0.000 0.000 0.219 252 A C 2.275 179.915 177.584 0.094 0.000 1.182 252 A CA 1.717 53.853 52.037 0.164 0.000 0.633 252 A CB -0.853 18.223 19.000 0.127 0.000 0.819 252 A HN 0.383 nan 8.150 nan 0.000 0.448 253 L N -0.340 120.909 121.223 0.044 0.000 2.046 253 L HA -0.209 4.131 4.340 0.000 0.000 0.208 253 L C 2.418 179.246 176.870 -0.070 0.000 1.077 253 L CA 2.809 57.646 54.840 -0.005 0.000 0.747 253 L CB -1.044 41.009 42.059 -0.010 0.000 0.896 253 L HN 0.705 nan 8.230 nan 0.000 0.432 254 Q N -1.108 118.585 119.800 -0.180 0.000 2.137 254 Q HA -0.077 4.263 4.340 0.000 0.000 0.198 254 Q C -0.089 175.635 176.000 -0.461 0.000 0.960 254 Q CA 0.687 56.242 55.803 -0.413 0.000 0.847 254 Q CB 0.090 28.403 28.738 -0.709 0.000 0.915 254 Q HN 0.349 nan 8.270 nan 0.000 0.448 255 F N 0.687 120.673 119.950 0.061 0.000 2.397 255 F HA 0.198 4.725 4.527 0.000 0.000 0.331 255 F C 0.833 176.678 175.800 0.075 0.000 1.090 255 F CA -1.059 56.983 58.000 0.071 0.000 1.065 255 F CB 1.074 40.128 39.000 0.089 0.000 1.184 255 F HN -0.066 nan 8.300 nan 0.000 0.499 256 D N 0.012 120.582 120.400 0.285 0.000 2.117 256 D HA -0.076 4.564 4.640 0.000 0.000 0.198 256 D C 0.593 177.009 176.300 0.193 0.000 0.982 256 D CA 1.191 55.303 54.000 0.187 0.000 0.828 256 D CB -0.486 40.407 40.800 0.154 0.000 0.967 256 D HN 0.405 nan 8.370 nan 0.000 0.464 257 T N 3.394 118.076 114.554 0.214 0.000 2.871 257 T HA 0.110 4.460 4.350 0.000 0.000 0.296 257 T C -2.351 172.475 174.700 0.211 0.000 0.998 257 T CA -0.818 61.391 62.100 0.183 0.000 1.162 257 T CB 0.929 69.881 68.868 0.139 0.000 0.947 257 T HN -0.057 nan 8.240 nan 0.000 0.536 258 P HA 0.169 nan 4.420 nan 0.000 0.268 258 P C -0.440 177.017 177.300 0.261 0.000 1.205 258 P CA -0.347 62.920 63.100 0.277 0.000 0.771 258 P CB 0.393 32.371 31.700 0.464 0.000 0.858 259 I N 2.169 122.856 120.570 0.196 0.000 2.359 259 I HA 0.519 4.689 4.170 0.000 0.000 0.294 259 I C 0.404 176.531 176.117 0.017 0.000 0.987 259 I CA -0.870 60.511 61.300 0.134 0.000 1.225 259 I CB 0.821 38.910 38.000 0.149 0.000 1.366 259 I HN 0.315 nan 8.210 nan 0.000 0.466 260 A N 4.554 127.298 122.820 -0.126 0.000 2.350 260 A HA 0.871 5.191 4.320 0.000 0.000 0.324 260 A C -0.206 177.177 177.584 -0.335 0.000 1.118 260 A CA -0.481 51.349 52.037 -0.346 0.000 0.783 260 A CB 1.923 20.358 19.000 -0.942 0.000 1.236 260 A HN 0.730 nan 8.150 nan 0.000 0.457 261 T N -0.493 113.866 114.554 -0.325 0.000 2.770 261 T HA 0.566 4.916 4.350 0.000 0.000 0.323 261 T C 0.294 174.846 174.700 -0.247 0.000 1.683 261 T CA 0.674 62.581 62.100 -0.322 0.000 1.024 261 T CB 0.749 69.307 68.868 -0.516 0.000 1.557 261 T HN 2.426 nan 8.240 nan 0.000 0.494 262 G N 1.637 110.294 108.800 -0.237 0.000 2.551 262 G HA2 -0.147 3.813 3.960 0.000 0.000 0.186 262 G HA3 -0.147 3.813 3.960 0.000 0.000 0.186 262 G C 0.825 175.646 174.900 -0.132 0.000 1.002 262 G CA 1.143 46.122 45.100 -0.202 0.000 0.723 262 G HN 1.042 nan 8.290 nan 0.000 0.481 263 E N 0.373 120.472 120.200 -0.168 0.000 2.171 263 E HA -0.157 4.193 4.350 0.000 0.000 0.197 263 E C 2.059 178.504 176.600 -0.258 0.000 0.997 263 E CA 1.632 57.861 56.400 -0.285 0.000 0.810 263 E CB -0.251 29.058 29.700 -0.653 0.000 0.738 263 E HN 0.434 nan 8.360 nan 0.000 0.467 264 M N 0.840 120.301 119.600 -0.232 0.000 2.506 264 M HA 0.197 4.677 4.480 0.000 0.000 0.260 264 M C 0.884 177.103 176.300 -0.135 0.000 1.104 264 M CA 0.351 55.546 55.300 -0.175 0.000 1.112 264 M CB -0.499 31.995 32.600 -0.177 0.000 1.401 264 M HN 0.092 nan 8.290 nan 0.000 0.473 265 L N 1.247 122.350 121.223 -0.200 0.000 2.456 265 L HA 0.056 4.397 4.340 0.000 0.000 0.272 265 L C 1.240 178.130 176.870 0.034 0.000 1.189 265 L CA 0.092 54.833 54.840 -0.165 0.000 0.846 265 L CB 0.156 41.908 42.059 -0.512 0.000 1.111 265 L HN 0.277 nan 8.230 nan 0.000 0.475 266 T N -2.549 112.061 114.554 0.094 0.000 3.266 266 T HA 0.314 4.664 4.350 0.000 0.000 0.278 266 T C 0.064 174.864 174.700 0.167 0.000 1.010 266 T CA -0.058 62.118 62.100 0.128 0.000 0.909 266 T CB -0.029 68.897 68.868 0.096 0.000 1.122 266 T HN 0.681 nan 8.240 nan 0.000 0.536 267 S N -0.952 114.865 115.700 0.194 0.000 2.595 267 S HA 0.707 5.177 4.470 0.000 0.000 0.270 267 S C 1.046 175.768 174.600 0.204 0.000 1.145 267 S CA -0.390 57.928 58.200 0.197 0.000 0.825 267 S CB 0.887 64.191 63.200 0.174 0.000 1.107 267 S HN 0.344 nan 8.310 nan 0.000 0.461 268 A N 1.435 124.333 122.820 0.130 0.000 1.933 268 A HA 0.303 4.623 4.320 0.000 0.000 0.218 268 A C 2.323 179.961 177.584 0.090 0.000 1.175 268 A CA 2.097 54.178 52.037 0.072 0.000 0.628 268 A CB -1.580 17.410 19.000 -0.017 0.000 0.814 268 A HN 1.735 nan 8.150 nan 0.000 0.444 269 A N -0.059 122.814 122.820 0.089 0.000 1.933 269 A HA -0.191 4.129 4.320 0.000 0.000 0.218 269 A C 1.923 179.558 177.584 0.084 0.000 1.175 269 A CA 1.655 53.740 52.037 0.080 0.000 0.628 269 A CB -0.514 18.538 19.000 0.087 0.000 0.814 269 A HN 0.655 nan 8.150 nan 0.000 0.444 270 E N -1.139 119.121 120.200 0.099 0.000 2.072 270 E HA -0.210 4.140 4.350 0.000 0.000 0.191 270 E C 1.892 178.459 176.600 -0.055 0.000 0.985 270 E CA 1.434 57.877 56.400 0.072 0.000 0.801 270 E CB -0.312 29.437 29.700 0.083 0.000 0.750 270 E HN 0.835 nan 8.360 nan 0.000 0.452 271 H N -0.281 118.770 119.070 -0.032 0.000 2.423 271 H HA -0.034 4.522 4.556 0.000 0.000 0.297 271 H C 2.190 177.459 175.328 -0.098 0.000 1.075 271 H CA 1.255 57.246 56.048 -0.094 0.000 1.342 271 H CB -0.245 29.448 29.762 -0.114 0.000 1.395 271 H HN 0.227 nan 8.280 nan 0.000 0.530 272 G N 0.262 109.092 108.800 0.051 0.000 2.422 272 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 272 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 272 G C 1.221 176.107 174.900 -0.023 0.000 1.146 272 G CA 1.090 46.198 45.100 0.012 0.000 0.769 272 G HN 0.355 nan 8.290 nan 0.000 0.547 273 D N 0.436 120.810 120.400 -0.044 0.000 2.144 273 D HA -0.043 4.597 4.640 0.000 0.000 0.200 273 D C 2.630 178.811 176.300 -0.198 0.000 0.978 273 D CA 0.321 54.283 54.000 -0.063 0.000 0.833 273 D CB -0.173 40.621 40.800 -0.010 0.000 0.961 273 D HN 0.270 nan 8.370 nan 0.000 0.470 274 L N 0.617 121.606 121.223 -0.390 0.000 2.017 274 L HA -0.152 4.189 4.340 0.000 0.000 0.208 274 L C 2.563 179.371 176.870 -0.103 0.000 1.073 274 L CA 0.877 55.510 54.840 -0.345 0.000 0.745 274 L CB -0.301 41.598 42.059 -0.266 0.000 0.894 274 L HN 0.018 nan 8.230 nan 0.000 0.432 275 I N -0.603 119.926 120.570 -0.069 0.000 2.226 275 I HA -0.326 3.844 4.170 0.000 0.000 0.245 275 I C 2.783 178.885 176.117 -0.025 0.000 1.100 275 I CA 1.191 62.472 61.300 -0.032 0.000 1.374 275 I CB -0.401 37.588 38.000 -0.018 0.000 1.057 275 I HN 0.278 nan 8.210 nan 0.000 0.413 276 R N 0.558 121.034 120.500 -0.040 0.000 2.081 276 R HA -0.198 4.142 4.340 0.000 0.000 0.235 276 R C 2.060 178.288 176.300 -0.120 0.000 1.131 276 R CA 1.760 57.808 56.100 -0.087 0.000 0.960 276 R CB -0.245 29.976 30.300 -0.132 0.000 0.856 276 R HN 0.411 nan 8.270 nan 0.000 0.436 277 H N -0.259 118.785 119.070 -0.044 0.000 2.551 277 H HA 0.228 4.784 4.556 0.000 0.000 0.266 277 H C -0.032 175.297 175.328 0.001 0.000 0.977 277 H CA 0.660 56.705 56.048 -0.004 0.000 1.163 277 H CB 0.263 30.043 29.762 0.029 0.000 1.381 277 H HN 0.143 nan 8.280 nan 0.000 0.581 278 R N -0.537 120.009 120.500 0.077 0.000 3.336 278 R HA -0.185 4.155 4.340 0.000 0.000 0.260 278 R C 0.517 176.859 176.300 0.070 0.000 1.032 278 R CA 0.356 56.482 56.100 0.044 0.000 0.693 278 R CB -1.853 28.466 30.300 0.031 0.000 1.134 278 R HN 0.438 nan 8.270 nan 0.000 0.433 279 A N -0.154 122.709 122.820 0.071 0.000 2.251 279 A HA 0.543 4.863 4.320 0.000 0.000 0.209 279 A C 0.719 178.315 177.584 0.020 0.000 1.187 279 A CA 0.926 53.016 52.037 0.089 0.000 0.823 279 A CB 0.488 19.550 19.000 0.104 0.000 0.846 279 A HN 0.598 nan 8.150 nan 0.000 0.486 280 A N -0.863 121.947 122.820 -0.017 0.000 2.540 280 A HA 0.524 4.844 4.320 0.000 0.000 0.297 280 A C -0.262 177.295 177.584 -0.045 0.000 1.056 280 A CA -0.354 51.651 52.037 -0.052 0.000 0.700 280 A CB 0.657 19.585 19.000 -0.120 0.000 1.280 280 A HN 0.050 nan 8.150 nan 0.000 0.398 281 D N 0.177 120.561 120.400 -0.026 0.000 2.162 281 D HA 0.020 4.660 4.640 0.000 0.000 0.205 281 D C -0.548 175.624 176.300 -0.214 0.000 0.964 281 D CA 1.873 55.826 54.000 -0.078 0.000 0.847 281 D CB 0.212 41.014 40.800 0.002 0.000 0.988 281 D HN 0.566 nan 8.370 nan 0.000 0.480 282 Y N 0.589 120.807 120.300 -0.137 0.000 2.334 282 Y HA 0.327 4.877 4.550 0.000 0.000 0.336 282 Y C -0.184 175.549 175.900 -0.278 0.000 0.960 282 Y CA -0.895 57.067 58.100 -0.230 0.000 1.164 282 Y CB 1.507 39.712 38.460 -0.426 0.000 1.155 282 Y HN -0.186 nan 8.280 nan 0.000 0.478 283 L N 4.866 126.024 121.223 -0.108 0.000 2.312 283 L HA 0.469 4.809 4.340 0.000 0.000 0.281 283 L C -0.403 176.378 176.870 -0.148 0.000 1.070 283 L CA -0.081 54.684 54.840 -0.126 0.000 0.805 283 L CB 0.701 42.674 42.059 -0.144 0.000 1.174 283 L HN 0.639 nan 8.230 nan 0.000 0.434 284 M N 7.461 126.999 119.600 -0.103 0.000 3.106 284 M HA 0.317 4.797 4.480 0.000 0.000 0.213 284 M C -2.393 173.931 176.300 0.039 0.000 1.117 284 M CA -1.592 53.666 55.300 -0.071 0.000 0.900 284 M CB 0.671 33.208 32.600 -0.104 0.000 1.339 284 M HN 0.344 nan 8.290 nan 0.000 0.542 285 P HA 0.055 nan 4.420 nan 0.000 0.274 285 P C -1.020 176.373 177.300 0.155 0.000 1.231 285 P CA 0.141 63.174 63.100 -0.111 0.000 0.790 285 P CB 1.204 32.473 31.700 -0.718 0.000 0.951 286 D N 1.505 122.084 120.400 0.298 0.000 2.461 286 D HA 0.290 4.930 4.640 0.000 0.000 0.240 286 D C 1.195 177.795 176.300 0.500 0.000 1.094 286 D CA -0.623 53.670 54.000 0.490 0.000 0.868 286 D CB 1.487 42.595 40.800 0.513 0.000 1.062 286 D HN 0.258 nan 8.370 nan 0.000 0.530 287 A N 5.791 129.005 122.820 0.657 0.000 1.884 287 A HA -0.143 4.178 4.320 0.000 0.000 0.219 287 A C -0.681 177.034 177.584 0.219 0.000 1.197 287 A CA 1.498 53.768 52.037 0.389 0.000 0.637 287 A CB -1.346 17.679 19.000 0.041 0.000 0.827 287 A HN 0.479 nan 8.150 nan 0.000 0.450 288 P HA -0.156 nan 4.420 nan 0.000 0.215 288 P C 1.481 178.843 177.300 0.104 0.000 1.157 288 P CA 1.511 64.676 63.100 0.109 0.000 0.868 288 P CB -0.153 31.690 31.700 0.237 0.000 0.788 289 R N -0.451 120.128 120.500 0.133 0.000 2.148 289 R HA -0.053 4.287 4.340 0.000 0.000 0.227 289 R C 1.795 178.175 176.300 0.134 0.000 1.103 289 R CA 1.495 57.638 56.100 0.072 0.000 0.983 289 R CB -0.829 29.519 30.300 0.080 0.000 0.874 289 R HN 0.235 nan 8.270 nan 0.000 0.451 290 V N -3.604 116.430 119.914 0.199 0.000 3.647 290 V HA 0.424 4.544 4.120 0.000 0.000 0.279 290 V C 0.919 177.175 176.094 0.269 0.000 1.314 290 V CA 0.655 63.087 62.300 0.219 0.000 1.125 290 V CB 0.409 32.353 31.823 0.202 0.000 0.907 290 V HN 0.383 nan 8.190 nan 0.000 0.434 291 G N -1.531 107.436 108.800 0.278 0.000 2.143 291 G HA2 0.356 4.317 3.960 0.000 0.000 0.175 291 G HA3 0.356 4.317 3.960 0.000 0.000 0.175 291 G C 0.919 176.102 174.900 0.473 0.000 1.004 291 G CA -0.039 45.316 45.100 0.424 0.000 0.671 291 G HN 2.267 nan 8.290 nan 0.000 0.512 292 G N -1.176 107.792 108.800 0.280 0.000 2.549 292 G HA2 0.059 4.019 3.960 0.000 0.000 0.404 292 G HA3 0.059 4.019 3.960 0.000 0.000 0.404 292 G C 0.821 175.812 174.900 0.151 0.000 1.292 292 G CA -0.075 45.154 45.100 0.216 0.000 0.935 292 G HN 0.923 nan 8.290 nan 0.000 0.512 293 I N 0.640 121.240 120.570 0.049 0.000 2.226 293 I HA -0.158 4.012 4.170 0.000 0.000 0.245 293 I C 3.093 179.184 176.117 -0.043 0.000 1.100 293 I CA 2.254 63.457 61.300 -0.161 0.000 1.374 293 I CB -0.619 36.986 38.000 -0.659 0.000 1.057 293 I HN 0.702 nan 8.210 nan 0.000 0.413 294 T N 1.797 116.440 114.554 0.148 0.000 2.607 294 T HA -0.126 4.224 4.350 0.000 0.000 0.267 294 T C -0.392 174.251 174.700 -0.095 0.000 1.049 294 T CA 1.918 64.078 62.100 0.100 0.000 1.162 294 T CB -1.517 67.365 68.868 0.024 0.000 0.863 294 T HN 0.328 nan 8.240 nan 0.000 0.424 295 P HA -0.060 nan 4.420 nan 0.000 0.217 295 P C 1.467 178.735 177.300 -0.053 0.000 1.151 295 P CA 0.979 63.971 63.100 -0.180 0.000 0.828 295 P CB -0.256 31.367 31.700 -0.128 0.000 0.788 296 F N 1.115 121.001 119.950 -0.107 0.000 2.095 296 F HA -0.185 4.343 4.527 0.000 0.000 0.298 296 F C 2.298 178.026 175.800 -0.121 0.000 1.104 296 F CA 1.456 59.386 58.000 -0.115 0.000 1.232 296 F CB -0.816 38.133 39.000 -0.084 0.000 0.987 296 F HN -0.298 nan 8.300 nan 0.000 0.475 297 L N 0.042 121.354 121.223 0.148 0.000 2.083 297 L HA -0.249 4.091 4.340 0.000 0.000 0.209 297 L C 2.398 179.255 176.870 -0.022 0.000 1.083 297 L CA 1.532 56.415 54.840 0.071 0.000 0.752 297 L CB -0.700 41.373 42.059 0.023 0.000 0.899 297 L HN 0.128 nan 8.230 nan 0.000 0.433 298 K N 0.259 120.622 120.400 -0.062 0.000 2.026 298 K HA -0.133 4.187 4.320 0.000 0.000 0.208 298 K C 2.071 178.606 176.600 -0.109 0.000 1.048 298 K CA 1.271 57.512 56.287 -0.077 0.000 0.929 298 K CB -0.186 32.255 32.500 -0.099 0.000 0.713 298 K HN 0.229 nan 8.250 nan 0.000 0.439 299 I N 1.191 121.643 120.570 -0.196 0.000 2.163 299 I HA -0.299 3.872 4.170 0.000 0.000 0.243 299 I C 2.533 178.498 176.117 -0.253 0.000 1.085 299 I CA 1.231 62.368 61.300 -0.273 0.000 1.347 299 I CB -0.419 37.269 38.000 -0.520 0.000 1.044 299 I HN 0.160 nan 8.210 nan 0.000 0.408 300 A N 0.051 122.698 122.820 -0.290 0.000 1.933 300 A HA -0.191 4.129 4.320 0.000 0.000 0.218 300 A C 2.473 180.110 177.584 0.088 0.000 1.175 300 A CA 2.191 54.173 52.037 -0.092 0.000 0.628 300 A CB -0.653 18.359 19.000 0.020 0.000 0.814 300 A HN 0.415 nan 8.150 nan 0.000 0.444 301 S N -0.545 115.171 115.700 0.027 0.000 2.368 301 S HA -0.095 4.375 4.470 0.000 0.000 0.224 301 S C 1.805 176.435 174.600 0.049 0.000 1.029 301 S CA 1.301 59.523 58.200 0.037 0.000 0.988 301 S CB -0.370 62.834 63.200 0.008 0.000 0.838 301 S HN 0.397 nan 8.310 nan 0.000 0.462 302 L N 1.809 123.043 121.223 0.018 0.000 2.046 302 L HA 0.006 4.346 4.340 0.000 0.000 0.208 302 L C 2.476 179.386 176.870 0.067 0.000 1.077 302 L CA 1.712 56.576 54.840 0.041 0.000 0.747 302 L CB -1.112 40.945 42.059 -0.003 0.000 0.896 302 L HN 0.280 nan 8.230 nan 0.000 0.432 303 A N -1.157 121.685 122.820 0.037 0.000 1.877 303 A HA -0.257 4.063 4.320 0.000 0.000 0.216 303 A C 2.322 179.979 177.584 0.121 0.000 1.186 303 A CA 1.765 53.834 52.037 0.054 0.000 0.620 303 A CB -0.703 18.299 19.000 0.004 0.000 0.822 303 A HN 0.540 nan 8.150 nan 0.000 0.443 304 E N -0.964 119.332 120.200 0.161 0.000 2.058 304 E HA -0.319 4.031 4.350 0.000 0.000 0.194 304 E C 1.907 178.513 176.600 0.010 0.000 0.997 304 E CA 1.705 58.112 56.400 0.013 0.000 0.801 304 E CB -0.308 29.318 29.700 -0.124 0.000 0.746 304 E HN 0.791 nan 8.360 nan 0.000 0.450 305 H N -0.085 118.966 119.070 -0.032 0.000 2.387 305 H HA -0.024 4.533 4.556 0.000 0.000 0.299 305 H C 1.539 176.850 175.328 -0.028 0.000 1.099 305 H CA 2.002 58.031 56.048 -0.032 0.000 1.315 305 H CB -0.197 29.550 29.762 -0.025 0.000 1.380 305 H HN 0.210 nan 8.280 nan 0.000 0.513 306 A N -0.651 122.115 122.820 -0.091 0.000 2.235 306 A HA 0.269 4.589 4.320 0.000 0.000 0.208 306 A C 1.911 179.425 177.584 -0.117 0.000 1.172 306 A CA 0.847 52.801 52.037 -0.139 0.000 0.786 306 A CB -0.847 18.125 19.000 -0.047 0.000 0.804 306 A HN 0.812 nan 8.150 nan 0.000 0.479 307 G N -1.100 107.643 108.800 -0.094 0.000 2.147 307 G HA2 -0.214 3.746 3.960 0.000 0.000 0.244 307 G HA3 -0.214 3.746 3.960 0.000 0.000 0.244 307 G C 0.089 174.957 174.900 -0.053 0.000 1.005 307 G CA 0.464 45.516 45.100 -0.079 0.000 0.713 307 G HN 0.442 nan 8.290 nan 0.000 0.515 308 L N -0.954 120.257 121.223 -0.021 0.000 2.472 308 L HA 0.749 5.089 4.340 0.000 0.000 0.256 308 L C 1.249 178.117 176.870 -0.003 0.000 1.111 308 L CA -0.945 53.867 54.840 -0.048 0.000 0.800 308 L CB 0.769 42.793 42.059 -0.057 0.000 1.286 308 L HN 0.139 nan 8.230 nan 0.000 0.479 309 M N 1.063 120.562 119.600 -0.168 0.000 2.644 309 M HA 0.465 4.945 4.480 0.000 0.000 0.316 309 M C -1.169 175.010 176.300 -0.202 0.000 1.200 309 M CA -0.757 54.430 55.300 -0.188 0.000 0.944 309 M CB 2.331 34.525 32.600 -0.676 0.000 1.691 309 M HN 0.236 nan 8.290 nan 0.000 0.471 310 L N 1.478 122.592 121.223 -0.181 0.000 2.346 310 L HA 0.816 5.156 4.340 0.000 0.000 0.276 310 L C -1.061 175.857 176.870 0.079 0.000 1.006 310 L CA -0.013 54.664 54.840 -0.272 0.000 0.817 310 L CB 1.884 43.428 42.059 -0.858 0.000 1.272 310 L HN 0.822 nan 8.230 nan 0.000 0.421 311 A N 5.312 128.141 122.820 0.014 0.000 3.300 311 A HA 0.630 4.950 4.320 0.000 0.000 0.300 311 A C -2.669 174.921 177.584 0.011 0.000 1.099 311 A CA -1.092 50.980 52.037 0.057 0.000 0.846 311 A CB -0.207 18.614 19.000 -0.300 0.000 1.255 311 A HN 0.517 nan 8.150 nan 0.000 0.519 312 P HA -0.074 nan 4.420 nan 0.000 0.266 312 P C -0.303 176.981 177.300 -0.026 0.000 1.186 312 P CA 0.618 63.628 63.100 -0.149 0.000 0.767 312 P CB 0.229 31.686 31.700 -0.405 0.000 0.820 313 H N 4.571 123.595 119.070 -0.076 0.000 2.488 313 H HA 0.270 4.826 4.556 0.000 0.000 0.322 313 H C 0.462 176.033 175.328 0.405 0.000 1.078 313 H CA -0.445 55.711 56.048 0.179 0.000 1.260 313 H CB 0.100 29.965 29.762 0.172 0.000 1.425 313 H HN 0.323 nan 8.280 nan 0.000 0.471 314 F N 2.706 122.393 119.950 -0.439 0.000 2.182 314 F HA -0.376 4.151 4.527 0.000 0.000 0.318 314 F C 0.689 176.498 175.800 0.016 0.000 0.129 314 F CA 1.789 59.527 58.000 -0.437 0.000 0.911 314 F CB -1.250 37.313 39.000 -0.728 0.000 4.131 314 F HN 0.902 nan 8.300 nan 0.000 0.140 315 A N 0.992 123.309 122.820 -0.837 0.000 2.089 315 A HA -0.203 4.117 4.320 0.000 0.000 0.265 315 A C 1.365 178.762 177.584 -0.311 0.000 1.315 315 A CA 1.824 53.507 52.037 -0.590 0.000 0.768 315 A CB -1.793 17.018 19.000 -0.316 0.000 1.112 315 A HN 1.465 nan 8.150 nan 0.000 0.336 316 M N -1.344 118.104 119.600 -0.253 0.000 2.149 316 M HA -0.179 4.301 4.480 0.000 0.000 0.261 316 M C 1.313 177.548 176.300 -0.108 0.000 1.064 316 M CA 2.364 57.598 55.300 -0.111 0.000 1.102 316 M CB -0.597 31.919 32.600 -0.139 0.000 1.369 316 M HN 0.421 nan 8.290 nan 0.000 0.408 317 E N 1.192 121.322 120.200 -0.117 0.000 2.267 317 E HA -0.151 4.199 4.350 0.000 0.000 0.197 317 E C 1.833 178.428 176.600 -0.007 0.000 0.998 317 E CA 1.410 57.767 56.400 -0.071 0.000 0.830 317 E CB -0.249 29.388 29.700 -0.105 0.000 0.751 317 E HN 0.577 nan 8.360 nan 0.000 0.491 318 L N -0.961 120.210 121.223 -0.086 0.000 2.349 318 L HA 0.107 4.447 4.340 0.000 0.000 0.200 318 L C 1.611 178.383 176.870 -0.163 0.000 1.064 318 L CA 1.359 56.107 54.840 -0.154 0.000 0.821 318 L CB -0.336 41.487 42.059 -0.394 0.000 1.027 318 L HN 0.062 nan 8.230 nan 0.000 0.476 319 H N -0.650 118.347 119.070 -0.121 0.000 2.489 319 H HA -0.038 4.518 4.556 0.000 0.000 0.293 319 H C 2.398 177.673 175.328 -0.089 0.000 1.066 319 H CA 1.456 57.415 56.048 -0.148 0.000 1.305 319 H CB -0.413 29.301 29.762 -0.080 0.000 1.386 319 H HN 0.295 nan 8.280 nan 0.000 0.551 320 V N 1.133 121.051 119.914 0.005 0.000 2.343 320 V HA -0.239 3.881 4.120 0.000 0.000 0.247 320 V C 2.294 178.318 176.094 -0.118 0.000 1.051 320 V CA 1.745 63.999 62.300 -0.077 0.000 1.036 320 V CB -0.290 31.427 31.823 -0.176 0.000 0.654 320 V HN 0.484 nan 8.190 nan 0.000 0.451 321 H N -0.330 118.715 119.070 -0.041 0.000 2.357 321 H HA -0.052 4.504 4.556 0.000 0.000 0.301 321 H C 2.301 177.603 175.328 -0.044 0.000 1.082 321 H CA 2.073 58.093 56.048 -0.047 0.000 1.342 321 H CB -0.158 29.553 29.762 -0.085 0.000 1.389 321 H HN 0.390 nan 8.280 nan 0.000 0.511 322 L N 0.182 121.420 121.223 0.025 0.000 2.093 322 L HA -0.091 4.249 4.340 0.000 0.000 0.208 322 L C 2.896 179.835 176.870 0.116 0.000 1.085 322 L CA 0.828 55.650 54.840 -0.030 0.000 0.755 322 L CB -0.437 41.399 42.059 -0.372 0.000 0.904 322 L HN 0.192 nan 8.230 nan 0.000 0.435 323 A N 0.106 122.990 122.820 0.107 0.000 1.930 323 A HA -0.100 4.220 4.320 0.000 0.000 0.217 323 A C 2.531 180.215 177.584 0.166 0.000 1.175 323 A CA 1.464 53.588 52.037 0.146 0.000 0.627 323 A CB -0.584 18.482 19.000 0.111 0.000 0.815 323 A HN 0.376 nan 8.150 nan 0.000 0.443 324 A N -0.228 122.664 122.820 0.120 0.000 1.972 324 A HA 0.185 4.505 4.320 0.000 0.000 0.219 324 A C 2.260 179.980 177.584 0.226 0.000 1.169 324 A CA 1.794 53.910 52.037 0.132 0.000 0.635 324 A CB -0.688 18.356 19.000 0.073 0.000 0.810 324 A HN 1.059 nan 8.150 nan 0.000 0.446 325 A N -2.424 120.537 122.820 0.235 0.000 2.238 325 A HA 0.283 4.603 4.320 0.000 0.000 0.208 325 A C 0.647 178.465 177.584 0.390 0.000 1.177 325 A CA -0.031 52.189 52.037 0.305 0.000 0.804 325 A CB -0.371 18.744 19.000 0.192 0.000 0.823 325 A HN 0.479 nan 8.150 nan 0.000 0.482 326 Y N 0.217 120.599 120.300 0.137 0.000 2.304 326 Y HA 0.368 4.918 4.550 0.000 0.000 0.328 326 Y C -1.782 173.902 175.900 -0.361 0.000 1.123 326 Y CA -2.086 55.999 58.100 -0.025 0.000 1.218 326 Y CB 1.176 39.642 38.460 0.011 0.000 1.207 326 Y HN 0.051 nan 8.280 nan 0.000 0.495 327 P HA -0.127 nan 4.420 nan 0.000 0.214 327 P C -0.385 176.515 177.300 -0.666 0.000 1.163 327 P CA 1.754 64.070 63.100 -1.307 0.000 0.883 327 P CB 0.241 31.381 31.700 -0.932 0.000 0.788 328 R N 0.216 120.475 120.500 -0.402 0.000 2.457 328 R HA 0.220 4.560 4.340 0.000 0.000 0.284 328 R C 0.238 176.593 176.300 0.092 0.000 1.024 328 R CA -0.764 55.285 56.100 -0.086 0.000 1.025 328 R CB 0.287 30.584 30.300 -0.005 0.000 1.063 328 R HN -0.041 nan 8.270 nan 0.000 0.493 329 E N 4.321 124.559 120.200 0.062 0.000 2.606 329 E HA -0.018 4.332 4.350 0.000 0.000 0.248 329 E C -2.063 174.629 176.600 0.154 0.000 1.005 329 E CA -0.740 55.700 56.400 0.067 0.000 0.946 329 E CB 0.354 30.059 29.700 0.010 0.000 0.928 329 E HN 0.222 nan 8.360 nan 0.000 0.494 330 P HA 0.380 nan 4.420 nan 0.000 0.286 330 P C -1.136 176.260 177.300 0.160 0.000 1.292 330 P CA -0.764 62.472 63.100 0.227 0.000 0.842 330 P CB 0.673 32.476 31.700 0.171 0.000 1.207 331 W N -0.841 120.619 121.300 0.266 0.000 2.883 331 W HA 0.496 5.156 4.660 0.000 0.000 0.335 331 W C -1.134 175.589 176.519 0.339 0.000 1.083 331 W CA -0.307 57.234 57.345 0.327 0.000 1.233 331 W CB 2.172 31.896 29.460 0.441 0.000 1.412 331 W HN -0.015 nan 8.180 nan 0.000 0.490 332 V N 2.185 122.402 119.914 0.506 0.000 2.656 332 V HA 0.317 4.437 4.120 0.000 0.000 0.307 332 V C -0.461 175.658 176.094 0.042 0.000 1.051 332 V CA -1.230 61.235 62.300 0.275 0.000 0.893 332 V CB 1.866 33.772 31.823 0.139 0.000 0.999 332 V HN 0.508 nan 8.190 nan 0.000 0.426 333 E N 3.035 123.118 120.200 -0.195 0.000 2.227 333 E HA 0.230 4.580 4.350 0.000 0.000 0.282 333 E C -0.771 175.610 176.600 -0.366 0.000 1.015 333 E CA -0.558 55.403 56.400 -0.732 0.000 0.823 333 E CB 0.694 29.952 29.700 -0.736 0.000 1.081 333 E HN 0.779 nan 8.360 nan 0.000 0.396 334 H N 5.183 123.943 119.070 -0.518 0.000 2.620 334 H HA 0.232 4.788 4.556 0.000 0.000 0.313 334 H C -1.463 173.566 175.328 -0.498 0.000 1.075 334 H CA 0.004 55.852 56.048 -0.334 0.000 1.397 334 H CB 0.122 29.739 29.762 -0.240 0.000 1.446 334 H HN 0.421 nan 8.280 nan 0.000 0.493 335 F N 2.549 122.153 119.950 -0.578 0.000 2.565 335 F HA 0.204 4.731 4.527 0.000 0.000 0.313 335 F C 1.204 176.767 175.800 -0.395 0.000 1.091 335 F CA -0.622 57.098 58.000 -0.466 0.000 0.915 335 F CB 2.035 40.684 39.000 -0.587 0.000 1.208 335 F HN 0.566 nan 8.300 nan 0.000 0.453 336 E N 1.687 121.958 120.200 0.117 0.000 2.476 336 E HA -0.041 4.309 4.350 0.000 0.000 0.199 336 E C 0.921 177.706 176.600 0.308 0.000 1.021 336 E CA 0.162 56.671 56.400 0.183 0.000 0.907 336 E CB 0.186 30.035 29.700 0.250 0.000 0.974 336 E HN 0.647 nan 8.360 nan 0.000 0.489 337 W N 1.128 122.499 121.300 0.118 0.000 2.302 337 W HA -0.196 4.464 4.660 0.000 0.000 0.320 337 W C 1.809 178.305 176.519 -0.039 0.000 1.241 337 W CA 0.911 58.294 57.345 0.063 0.000 1.264 337 W CB -0.930 28.611 29.460 0.134 0.000 1.154 337 W HN 0.096 nan 8.180 nan 0.000 0.483 338 L N -0.184 121.117 121.223 0.130 0.000 2.554 338 L HA -0.006 4.334 4.340 0.000 0.000 0.226 338 L C 2.009 178.858 176.870 -0.035 0.000 1.137 338 L CA 0.508 55.321 54.840 -0.045 0.000 0.863 338 L CB -0.777 41.189 42.059 -0.156 0.000 0.985 338 L HN 0.053 nan 8.230 nan 0.000 0.451 339 E N 0.966 121.204 120.200 0.063 0.000 2.114 339 E HA -0.237 4.113 4.350 0.000 0.000 0.199 339 E C -0.601 176.044 176.600 0.074 0.000 1.008 339 E CA 1.409 57.871 56.400 0.104 0.000 0.810 339 E CB -0.959 28.810 29.700 0.115 0.000 0.739 339 E HN 0.452 nan 8.360 nan 0.000 0.456 340 P HA -0.149 nan 4.420 nan 0.000 0.221 340 P C 1.046 178.403 177.300 0.095 0.000 1.145 340 P CA 1.056 64.252 63.100 0.161 0.000 0.795 340 P CB -0.001 31.904 31.700 0.342 0.000 0.775 341 L N -3.420 117.726 121.223 -0.127 0.000 2.291 341 L HA -0.001 4.340 4.340 0.000 0.000 0.214 341 L C 0.601 177.127 176.870 -0.574 0.000 1.120 341 L CA 0.657 55.258 54.840 -0.399 0.000 0.799 341 L CB -0.385 41.189 42.059 -0.808 0.000 0.925 341 L HN -0.079 nan 8.230 nan 0.000 0.446 342 F N -1.678 118.305 119.950 0.054 0.000 2.598 342 F HA 0.303 4.831 4.527 0.000 0.000 0.327 342 F C 1.057 176.866 175.800 0.015 0.000 1.057 342 F CA -1.146 56.863 58.000 0.015 0.000 0.957 342 F CB 0.815 39.821 39.000 0.011 0.000 1.278 342 F HN -0.278 nan 8.300 nan 0.000 0.484 343 N N -0.563 118.268 118.700 0.218 0.000 2.333 343 N HA -0.013 4.728 4.740 0.000 0.000 0.178 343 N C -0.408 175.169 175.510 0.110 0.000 1.018 343 N CA 0.346 53.466 53.050 0.117 0.000 0.882 343 N CB 0.118 38.651 38.487 0.077 0.000 0.984 343 N HN 0.525 nan 8.380 nan 0.000 0.434 344 E N 0.625 120.899 120.200 0.123 0.000 2.345 344 E HA 0.301 4.651 4.350 0.000 0.000 0.259 344 E C -0.118 176.538 176.600 0.094 0.000 1.117 344 E CA -0.077 56.371 56.400 0.080 0.000 0.913 344 E CB 0.810 30.534 29.700 0.040 0.000 1.057 344 E HN -0.009 nan 8.360 nan 0.000 0.432 345 R N 0.896 121.436 120.500 0.067 0.000 2.795 345 R HA 0.460 4.800 4.340 0.000 0.000 0.275 345 R C -0.529 175.800 176.300 0.050 0.000 0.981 345 R CA -0.884 55.259 56.100 0.071 0.000 0.917 345 R CB 1.225 31.570 30.300 0.075 0.000 1.202 345 R HN 0.482 nan 8.270 nan 0.000 0.469 346 I N 2.063 122.666 120.570 0.055 0.000 2.428 346 I HA 0.189 4.359 4.170 0.000 0.000 0.289 346 I C 0.609 176.766 176.117 0.067 0.000 1.019 346 I CA -0.059 61.267 61.300 0.044 0.000 1.351 346 I CB 0.853 38.874 38.000 0.036 0.000 1.412 346 I HN 0.357 nan 8.210 nan 0.000 0.513 347 E N 5.725 125.946 120.200 0.034 0.000 2.197 347 E HA 0.458 4.808 4.350 0.000 0.000 0.281 347 E C -0.799 175.809 176.600 0.013 0.000 0.995 347 E CA -0.632 55.782 56.400 0.023 0.000 0.808 347 E CB 2.019 31.724 29.700 0.008 0.000 1.093 347 E HN 0.272 nan 8.360 nan 0.000 0.394 348 I N 3.113 123.680 120.570 -0.004 0.000 2.433 348 I HA 0.438 4.608 4.170 0.000 0.000 0.292 348 I C -0.128 175.967 176.117 -0.035 0.000 1.001 348 I CA -0.569 60.713 61.300 -0.031 0.000 1.119 348 I CB 1.339 39.285 38.000 -0.091 0.000 1.289 348 I HN 0.495 nan 8.210 nan 0.000 0.438 349 R N 4.364 124.845 120.500 -0.033 0.000 2.536 349 R HA 0.223 4.563 4.340 0.000 0.000 0.269 349 R C -1.173 175.109 176.300 -0.030 0.000 1.113 349 R CA -0.806 55.276 56.100 -0.029 0.000 0.948 349 R CB 1.826 32.113 30.300 -0.022 0.000 1.237 349 R HN 0.594 nan 8.270 nan 0.000 0.441 350 D N 1.727 122.111 120.400 -0.028 0.000 2.686 350 D HA -0.205 4.435 4.640 0.000 0.000 0.235 350 D C 0.830 177.114 176.300 -0.028 0.000 1.160 350 D CA 2.033 56.018 54.000 -0.025 0.000 0.645 350 D CB -0.744 40.042 40.800 -0.023 0.000 1.039 350 D HN 1.105 nan 8.370 nan 0.000 0.423 351 G N -0.407 108.378 108.800 -0.025 0.000 2.179 351 G HA2 -0.354 3.606 3.960 0.000 0.000 0.260 351 G HA3 -0.354 3.606 3.960 0.000 0.000 0.260 351 G C 0.308 175.180 174.900 -0.047 0.000 0.977 351 G CA 0.589 45.677 45.100 -0.019 0.000 0.641 351 G HN 0.580 nan 8.290 nan 0.000 0.533 352 R N -0.503 119.966 120.500 -0.050 0.000 2.771 352 R HA 0.723 5.063 4.340 0.000 0.000 0.274 352 R C 0.285 176.563 176.300 -0.036 0.000 0.987 352 R CA -0.760 55.303 56.100 -0.062 0.000 0.908 352 R CB 1.365 31.620 30.300 -0.075 0.000 1.213 352 R HN 0.416 nan 8.270 nan 0.000 0.468 353 M N 1.014 120.598 119.600 -0.027 0.000 2.336 353 M HA 0.422 4.902 4.480 0.000 0.000 0.342 353 M C -0.923 175.358 176.300 -0.031 0.000 1.128 353 M CA -0.985 54.308 55.300 -0.011 0.000 1.016 353 M CB 1.473 34.083 32.600 0.018 0.000 1.665 353 M HN 0.377 nan 8.290 nan 0.000 0.445 354 L N 4.200 125.406 121.223 -0.029 0.000 2.367 354 L HA 0.313 4.653 4.340 0.000 0.000 0.275 354 L C -0.627 176.202 176.870 -0.069 0.000 1.129 354 L CA 0.061 54.877 54.840 -0.039 0.000 0.839 354 L CB 1.139 43.183 42.059 -0.025 0.000 1.133 354 L HN 0.668 nan 8.230 nan 0.000 0.453 355 V N 7.909 127.772 119.914 -0.084 0.000 2.521 355 V HA 0.164 4.284 4.120 0.000 0.000 0.286 355 V C -1.796 174.225 176.094 -0.121 0.000 1.034 355 V CA -1.164 61.041 62.300 -0.157 0.000 1.045 355 V CB 0.285 32.037 31.823 -0.119 0.000 0.974 355 V HN 0.784 nan 8.190 nan 0.000 0.480 356 P HA 0.081 nan 4.420 nan 0.000 0.266 356 P C 0.818 178.151 177.300 0.054 0.000 1.195 356 P CA 0.177 63.262 63.100 -0.025 0.000 0.768 356 P CB 0.447 32.162 31.700 0.024 0.000 0.838 357 T N -0.762 113.822 114.554 0.050 0.000 3.040 357 T HA 0.181 4.531 4.350 0.000 0.000 0.250 357 T C 0.690 175.426 174.700 0.060 0.000 1.058 357 T CA -0.217 61.916 62.100 0.055 0.000 0.988 357 T CB 0.019 68.906 68.868 0.031 0.000 0.993 357 T HN 0.187 nan 8.240 nan 0.000 0.519 358 R N 2.030 122.568 120.500 0.064 0.000 2.707 358 R HA 0.352 4.692 4.340 0.000 0.000 0.270 358 R C -2.660 173.670 176.300 0.049 0.000 1.083 358 R CA -1.803 54.327 56.100 0.049 0.000 1.182 358 R CB -0.458 29.867 30.300 0.042 0.000 1.084 358 R HN 0.152 nan 8.270 nan 0.000 0.528 359 P HA -0.060 nan 4.420 nan 0.000 0.266 359 P C 0.442 177.744 177.300 0.004 0.000 1.195 359 P CA 1.074 64.190 63.100 0.026 0.000 0.768 359 P CB 0.583 32.303 31.700 0.033 0.000 0.838 360 G N 2.093 110.883 108.800 -0.017 0.000 2.574 360 G HA2 -0.324 3.636 3.960 0.000 0.000 0.286 360 G HA3 -0.324 3.636 3.960 0.000 0.000 0.286 360 G C 0.799 175.576 174.900 -0.206 0.000 1.212 360 G CA 0.199 45.260 45.100 -0.066 0.000 0.979 360 G HN 0.487 nan 8.290 nan 0.000 0.557 361 L N 1.987 123.094 121.223 -0.193 0.000 2.395 361 L HA 0.317 4.657 4.340 0.000 0.000 0.218 361 L C 2.344 179.176 176.870 -0.063 0.000 1.130 361 L CA 1.056 55.739 54.840 -0.263 0.000 0.826 361 L CB -0.568 41.405 42.059 -0.143 0.000 0.941 361 L HN 2.012 nan 8.230 nan 0.000 0.451 362 G N 1.162 109.939 108.800 -0.039 0.000 2.246 362 G HA2 -0.271 3.689 3.960 0.000 0.000 0.273 362 G HA3 -0.271 3.689 3.960 0.000 0.000 0.273 362 G C -0.147 174.728 174.900 -0.042 0.000 1.055 362 G CA 0.016 45.115 45.100 -0.003 0.000 0.851 362 G HN 0.244 nan 8.290 nan 0.000 0.500 363 L N 0.310 121.481 121.223 -0.087 0.000 2.362 363 L HA 0.840 5.180 4.340 0.000 0.000 0.271 363 L C 0.424 177.280 176.870 -0.024 0.000 1.002 363 L CA -0.473 54.264 54.840 -0.171 0.000 0.818 363 L CB 2.491 44.237 42.059 -0.522 0.000 1.298 363 L HN 0.374 nan 8.230 nan 0.000 0.420 364 T N -0.146 114.448 114.554 0.067 0.000 2.916 364 T HA 0.559 4.909 4.350 0.000 0.000 0.298 364 T C -0.433 174.371 174.700 0.174 0.000 1.031 364 T CA -0.824 61.335 62.100 0.098 0.000 0.993 364 T CB 1.230 70.134 68.868 0.060 0.000 1.045 364 T HN 0.324 nan 8.240 nan 0.000 0.454 365 L N 3.468 124.735 121.223 0.074 0.000 2.490 365 L HA 0.298 4.638 4.340 0.000 0.000 0.274 365 L C 1.429 178.281 176.870 -0.031 0.000 1.201 365 L CA -0.464 54.353 54.840 -0.038 0.000 0.869 365 L CB 0.337 42.259 42.059 -0.229 0.000 1.123 365 L HN 0.998 nan 8.230 nan 0.000 0.484 366 S N 1.637 117.303 115.700 -0.056 0.000 2.624 366 S HA 0.218 4.688 4.470 0.000 0.000 0.263 366 S C 1.238 175.768 174.600 -0.117 0.000 1.287 366 S CA -0.280 57.883 58.200 -0.062 0.000 0.990 366 S CB 1.499 64.661 63.200 -0.064 0.000 0.950 366 S HN 0.762 nan 8.310 nan 0.000 0.561 367 G N 0.200 108.931 108.800 -0.116 0.000 2.471 367 G HA2 -0.095 3.865 3.960 0.000 0.000 0.219 367 G HA3 -0.095 3.865 3.960 0.000 0.000 0.219 367 G C 1.107 175.865 174.900 -0.236 0.000 1.125 367 G CA 0.422 45.438 45.100 -0.140 0.000 0.775 367 G HN 0.739 nan 8.290 nan 0.000 0.548 368 Q N -0.021 119.575 119.800 -0.341 0.000 2.369 368 Q HA 0.118 4.459 4.340 0.000 0.000 0.206 368 Q C 2.531 178.034 176.000 -0.829 0.000 0.963 368 Q CA 0.270 55.670 55.803 -0.671 0.000 0.894 368 Q CB -0.063 28.153 28.738 -0.871 0.000 0.965 368 Q HN 0.348 nan 8.270 nan 0.000 0.475 369 V N 0.671 120.346 119.914 -0.399 0.000 2.343 369 V HA -0.294 3.826 4.120 0.000 0.000 0.247 369 V C 2.158 178.208 176.094 -0.073 0.000 1.051 369 V CA 1.844 64.067 62.300 -0.129 0.000 1.036 369 V CB -0.404 31.371 31.823 -0.080 0.000 0.654 369 V HN 0.253 nan 8.190 nan 0.000 0.451 370 K N 1.054 121.379 120.400 -0.125 0.000 2.009 370 K HA -0.161 4.159 4.320 0.000 0.000 0.210 370 K C 2.112 178.681 176.600 -0.052 0.000 1.049 370 K CA 1.878 58.130 56.287 -0.059 0.000 0.929 370 K CB -0.849 31.610 32.500 -0.069 0.000 0.714 370 K HN 0.401 nan 8.250 nan 0.000 0.440 371 A N -0.295 122.425 122.820 -0.166 0.000 1.978 371 A HA -0.150 4.170 4.320 0.000 0.000 0.220 371 A C 1.488 179.099 177.584 0.045 0.000 1.170 371 A CA 1.529 53.487 52.037 -0.132 0.000 0.636 371 A CB -0.796 18.039 19.000 -0.275 0.000 0.810 371 A HN 0.524 nan 8.150 nan 0.000 0.448 372 W N 0.271 121.588 121.300 0.028 0.000 3.256 372 W HA 0.196 4.856 4.660 0.000 0.000 0.269 372 W C -0.081 176.489 176.519 0.085 0.000 1.310 372 W CA 0.054 57.431 57.345 0.053 0.000 1.673 372 W CB -1.206 28.289 29.460 0.059 0.000 1.115 372 W HN 0.051 nan 8.180 nan 0.000 0.686 373 T N 1.942 116.648 114.554 0.253 0.000 2.752 373 T HA 0.171 4.521 4.350 0.000 0.000 0.295 373 T C 1.333 176.094 174.700 0.103 0.000 0.923 373 T CA 0.037 62.247 62.100 0.183 0.000 1.112 373 T CB 1.304 70.251 68.868 0.132 0.000 0.884 373 T HN 0.035 nan 8.240 nan 0.000 0.525 374 R N 1.553 122.099 120.500 0.078 0.000 2.128 374 R HA 0.163 4.503 4.340 0.000 0.000 0.211 374 R C 0.500 176.735 176.300 -0.108 0.000 1.067 374 R CA 0.469 56.546 56.100 -0.039 0.000 1.010 374 R CB 0.490 30.706 30.300 -0.140 0.000 0.922 374 R HN 0.530 nan 8.270 nan 0.000 0.457 375 E N 0.833 120.909 120.200 -0.206 0.000 2.340 375 E HA 0.209 4.560 4.350 0.000 0.000 0.273 375 E C -1.160 175.260 176.600 -0.301 0.000 0.891 375 E CA -0.374 55.787 56.400 -0.398 0.000 0.757 375 E CB 2.598 31.722 29.700 -0.961 0.000 1.231 375 E HN 0.194 nan 8.360 nan 0.000 0.439 376 E N -0.041 120.170 120.200 0.018 0.000 2.388 376 E HA 0.814 5.164 4.350 0.000 0.000 0.280 376 E C -1.648 175.165 176.600 0.356 0.000 1.019 376 E CA -1.117 55.452 56.400 0.282 0.000 0.806 376 E CB 1.751 31.557 29.700 0.176 0.000 1.246 376 E HN 0.449 nan 8.360 nan 0.000 0.443 377 A N 1.480 124.486 122.820 0.311 0.000 2.610 377 A HA 0.689 5.009 4.320 0.000 0.000 0.291 377 A C -1.751 175.871 177.584 0.064 0.000 1.086 377 A CA -0.572 51.569 52.037 0.174 0.000 0.677 377 A CB 2.031 21.113 19.000 0.137 0.000 1.278 377 A HN 0.785 nan 8.150 nan 0.000 0.414 378 Q N -0.212 119.600 119.800 0.020 0.000 2.472 378 Q HA 0.758 5.099 4.340 0.000 0.000 0.281 378 Q C -2.013 173.950 176.000 -0.062 0.000 0.997 378 Q CA -0.866 54.875 55.803 -0.104 0.000 0.828 378 Q CB 2.028 30.745 28.738 -0.035 0.000 1.443 378 Q HN 1.504 nan 8.270 nan 0.000 0.390 379 V N 0.711 120.526 119.914 -0.164 0.000 2.962 379 V HA 0.891 5.011 4.120 0.000 0.000 0.313 379 V C -0.020 176.083 176.094 0.015 0.000 1.099 379 V CA 0.790 63.060 62.300 -0.049 0.000 0.971 379 V CB 1.483 33.263 31.823 -0.072 0.000 1.028 379 V HN 1.437 nan 8.190 nan 0.000 0.430 380 G N 3.489 112.361 108.800 0.121 0.000 2.796 380 G HA2 0.109 4.069 3.960 0.000 0.000 0.571 380 G HA3 0.109 4.069 3.960 0.000 0.000 0.571 380 G C -0.260 174.869 174.900 0.381 0.000 1.370 380 G CA -0.029 45.197 45.100 0.210 0.000 0.856 380 G HN 2.063 nan 8.290 nan 0.000 0.538 381 T N -1.780 112.943 114.554 0.281 0.000 2.887 381 T HA 0.815 5.165 4.350 0.000 0.000 0.288 381 T C 0.342 175.053 174.700 0.018 0.000 1.021 381 T CA -0.693 61.496 62.100 0.148 0.000 1.000 381 T CB 2.199 71.105 68.868 0.062 0.000 1.034 381 T HN 0.868 nan 8.240 nan 0.000 0.467 382 R N 0.000 120.352 120.500 -0.246 0.000 2.786 382 R HA 0.000 4.340 4.340 0.000 0.000 0.208 382 R CA 0.000 55.904 56.100 -0.326 0.000 0.921 382 R CB 0.000 29.889 30.300 -0.685 0.000 0.687 382 R HN 0.000 nan 8.270 nan 0.000 0.535